data_1g6j_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 1g6j _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.51 0.195 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -88.87 149.44 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -147.12 162.82 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 m-85 -118.87 104.47 10.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 69' ' ' LEU . 2.4 p -93.69 148.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.8 152.61 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -100.11 166.57 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.09 -12.88 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 7.6 t -100.85 7.85 43.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.08 23.83 75.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 35.1 tttp -84.07 152.14 24.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 m -103.36 116.55 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' ILE . 1.8 mp -125.04 117.34 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 4' ' ' PHE . 7.4 m -97.92 143.7 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.1 130.91 29.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -100.92 114.96 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.202 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.7 -178.21 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -106.07 159.22 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.95 21.35 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -89.12 -25.27 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.93 145.55 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 55' ' ' THR . 1.8 p -85.35 169.15 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.381 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.2 mm -59.48 -36.84 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.65 -36.53 84.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -44.44 76.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.87 -42.99 97.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -63.66 -44.4 93.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.88 78.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.59 -45.47 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.33 -31.05 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 23.4 tt0 -65.06 -57.9 7.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -30.09 68.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -73.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.74 -7.25 5.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -78.96 137.32 57.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.27 43.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.35 12.96 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.34 -33.08 73.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.18 7.41 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.82 133.23 36.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -133.98 97.45 3.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.53 124.27 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -105.03 141.42 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -154.43 126.56 7.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 15.85 6.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.8 -7.45 81.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.578 1.174 . . . . 0.0 110.997 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -106.93 149.17 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.364 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -79.04 139.73 38.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 62.4 mt -69.36 116.86 10.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.29 126.74 35.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -47.87 -50.29 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.3 -17.8 33.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -97.19 134.23 40.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.743 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.444 HG22 ' CG2' ' A' ' 22' ' ' THR . 16.8 p -96.86 165.18 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.89 -40.25 94.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -63.06 -43.98 97.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -15.89 59.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.1 m-85 -97.89 -6.87 31.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 55.19 52.45 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 83.6 mt -78.99 146.89 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -97.29 151.09 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 133.46 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 50.87 13.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 61' ' ' ILE . 7.7 p -74.8 158.34 33.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -96.81 107.29 19.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.17 149.48 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.2 110.71 22.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.691 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 ' CB ' HG21 ' A' ' 5' ' ' VAL . 6.6 tp -95.03 96.62 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' VAL . 23.5 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.438 0.161 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -85.34 151.28 24.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.35 158.93 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.218 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 4.9 m-85 -118.94 98.33 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.35 144.95 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.52 149.93 28.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 m -99.16 165.99 11.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.9 -13.06 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -100.55 9.47 42.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.36 22.31 78.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.07 147.65 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.8 m -103.56 116.38 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -125.24 114.86 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -96.61 142.22 28.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -138.12 133.84 33.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 116.19 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 1' ' ' MET . 33.9 m -138.18 178.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.0 157.65 34.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.9 20.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -89.05 -16.38 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.56 146.49 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 p -85.4 167.76 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' ' 50' ' ' LEU . 15.8 mm -62.85 -29.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.35 -41.08 77.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.36 -44.3 88.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.72 -45.26 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -63.52 -35.37 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.82 93.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.98 -45.22 90.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.73 -33.19 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.9 tt0 -65.2 -54.99 21.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -29.08 69.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CD ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.1 -70.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -62.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.3 -6.8 6.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 81.4 mt -80.03 140.76 53.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.01 158.77 41.99 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.496 1.787 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 -24.64 12.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -35.36 77.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.42 2.07 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.05 133.29 36.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.44 ' CB ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -133.96 97.34 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.83 123.95 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.395 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.03 139.55 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -151.12 123.84 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 17.58 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.3 -6.55 82.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -104.05 138.94 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.253 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -82.05 135.65 35.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 11.2 mt -71.67 110.28 6.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -88.73 117.72 27.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.41 104.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.58 -14.24 2.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -96.82 145.9 25.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.257 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 p -90.45 151.89 21.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 61' ' ' ILE . 33.4 mt -60.85 -40.79 94.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.21 -34.97 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -20.2 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 42.6 m-85 -98.54 -2.43 38.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 54.97 50.73 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.563 HG12 ' CE2' ' A' ' 45' ' ' PHE . 96.9 mt -78.81 144.49 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.52 152.63 22.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.41 146.23 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 27.3 tt0 54.1 44.75 28.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 p -75.17 151.79 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -102.91 107.85 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.4 mp -109.25 150.56 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -107.12 109.7 21.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.88 103.44 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG12 ' CB ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.8 ptp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.489 0.185 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -90.4 150.4 21.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.448 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.37 159.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 14' ' ' THR . 6.3 m-85 -118.98 101.18 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.64 144.22 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.96 153.96 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.9 p -99.92 164.2 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -6.49 13.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.5 m -98.68 -24.93 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.84 2.94 25.25 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 12' ' ' THR . 7.8 tptm -73.5 147.26 44.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 0.7 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 52.6 m -103.07 124.6 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -125.15 115.11 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 2.7 m -95.83 139.71 31.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.15 134.14 34.21 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -99.06 116.49 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.2 m -135.6 176.38 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -100.81 153.67 37.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.85 21.3 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.1 p -89.32 -22.64 22.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.74 148.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -85.53 170.37 12.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 50' ' ' LEU . 6.8 mm -64.31 -27.79 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.31 -45.43 76.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -65.17 -41.58 94.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.67 -46.72 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.88 -39.8 95.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.247 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.05 90.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -44.29 92.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.25 -34.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.386 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.1 tt0 -65.19 -55.97 15.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -26.63 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -73.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.4 -59.74 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.07 -5.73 5.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 5.4 mt -79.0 142.61 60.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.98 159.49 41.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.76 7.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.476 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 66.3 mm-40 -90.83 2.08 56.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 tt0 -93.38 135.41 34.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.61 95.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 69' ' ' LEU . 8.5 mt -97.96 125.8 43.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.33 145.79 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -151.68 123.34 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 20.27 8.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.19 -13.18 67.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.83 132.78 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -78.92 140.34 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 23' ' ' ILE . 7.1 mt -77.6 116.87 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.95 118.62 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.01 104.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.96 -15.82 1.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.1 mmt180 -96.51 145.07 26.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -88.87 144.17 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.29 -40.96 65.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -62.31 -33.77 75.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -20.96 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 50.6 m-85 -97.97 -5.87 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.184 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.73 55.08 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 4.4 mt -79.06 147.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.57 154.73 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 137.43 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 54.84 51.9 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 p -75.06 156.0 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -101.68 104.74 15.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.6 mp -108.9 146.37 33.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 116.36 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.56 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 43' ' ' LEU . 7.2 tp -96.19 120.09 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -87.93 149.58 23.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.23 157.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.7 m-85 -118.83 102.3 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -88.5 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -107.42 150.25 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.424 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 1.4 m -103.86 160.12 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.95 -20.63 16.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 6.4 t -99.6 24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.41 27.95 58.76 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -83.23 149.11 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.259 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -103.31 116.52 32.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -125.12 113.01 33.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -95.87 140.59 30.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.28 133.98 33.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.31 115.27 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -135.67 -178.32 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 153.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.42 21.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -89.09 -25.33 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -66.08 148.78 51.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -85.49 170.18 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 27' ' ' LYS . 20.1 mm -62.79 -30.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.23 -40.62 86.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -66.23 -46.9 75.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.86 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 10.0 mttt -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.27 95.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -64.08 -45.76 87.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.48 -35.2 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.2 tt0 -65.11 -53.08 50.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -29.23 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -74.84 -73.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -60.91 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.45 -5.23 6.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 3.4 mp -81.42 142.55 50.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 164.19 33.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -31.73 6.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.07 -33.24 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 78.1 mm-40 -91.37 -7.03 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.6 mt-30 -93.04 140.36 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.82 104.36 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 HD12 ' CG ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -97.71 117.32 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -103.76 136.23 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -151.09 127.97 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.28 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.94 51.59 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.576 1.173 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -101.0 136.39 40.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -84.0 142.51 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.4 117.34 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.91 116.78 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -47.17 104.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.96 -14.22 2.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -96.64 156.73 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -96.27 144.31 26.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.29 -36.91 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -63.14 -37.29 86.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.03 -19.53 65.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -97.81 -1.47 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 54.63 56.02 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 45' ' ' PHE . 9.2 mt -82.71 136.0 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -95.86 156.28 16.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 130.64 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 54.87 55.18 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -74.89 169.09 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.12 102.69 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 mp -109.09 145.34 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 121.22 44.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -102.23 97.71 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 5.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -91.24 159.28 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.85 150.77 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CD1' HG22 ' A' ' 14' ' ' THR . 11.9 m-85 -118.94 103.11 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 69' ' ' LEU . 2.5 p -98.03 151.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.93 143.75 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -99.8 168.46 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -53.62 -27.68 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.9 t -99.73 44.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.4 31.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' THR . 8.5 tttt -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -101.56 113.76 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mt -120.33 112.87 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.558 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.9 m -95.82 139.92 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.19 133.97 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -94.7 117.14 29.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 1' ' ' MET . 23.0 m -140.25 -179.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -107.14 154.2 40.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.19 21.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.624 1.855 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -22.55 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.22 150.14 48.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 p -85.22 171.51 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 22.2 mm -63.84 -34.04 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -37.88 84.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -66.27 -47.37 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.79 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.16 -40.75 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.04 95.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -43.69 95.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.66 -34.0 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 41.9 tt0 -65.14 -59.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.95 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -75.41 -74.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.22 -60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.71 -4.13 5.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.4 mt -78.87 140.25 58.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 155.53 43.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -22.13 15.15 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.04 -34.58 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -101.06 7.95 43.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 4.1 tt0 -93.44 131.55 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.96 98.5 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.52 122.03 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -105.22 141.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 4.8 t80 -156.17 124.27 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.49 22.51 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.56 -2.68 86.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -107.94 136.8 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 0.715 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.89 137.41 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 6.2 mt -71.4 114.81 9.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 112.25 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.96 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.63 -15.12 2.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.9 mtt-85 -96.9 158.33 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -93.64 145.66 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.51 -40.31 65.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.0 t -62.33 -31.36 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -17.79 63.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -105.14 3.58 30.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t30 55.14 54.8 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 22.0 mt -84.79 131.77 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.08 159.78 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 129.91 22.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 1.3 mp0 54.82 54.9 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -73.87 167.66 21.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -106.19 100.67 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.2 mp -108.38 150.5 27.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.02 114.24 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CB ' HG21 ' A' ' 5' ' ' VAL . 2.3 tp -94.17 100.88 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.359 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 7.9 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.512 0.196 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -89.9 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.91 163.77 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.0 m-85 -118.62 105.02 11.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.613 1.195 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.416 HG21 ' CB ' ' A' ' 69' ' ' LEU . 9.4 p -92.98 148.11 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.35 145.84 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -99.68 160.46 14.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.97 -9.41 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 97.6 m -98.95 9.46 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.14 60.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 17.8 mtmt -73.33 152.6 40.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -103.71 126.6 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.7 mm -125.19 114.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.557 HG22 ' CD1' ' A' ' 4' ' ' PHE . 6.1 m -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -138.08 129.42 27.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.7 pt-20 -98.48 107.3 19.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' ' CA ' ' A' ' 1' ' ' MET . 31.7 m -130.11 -175.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.16 158.82 32.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.33 21.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.08 -23.78 22.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.93 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 145.57 56.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -85.17 170.91 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.459 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 32.6 mm -58.0 -51.38 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -33.78 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.58 -44.34 78.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.65 -46.86 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -64.07 -35.18 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -64.41 -44.36 91.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.6 mt -63.93 -35.37 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 44.5 tt0 -65.36 -54.25 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.36 -30.58 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -79.73 -71.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.54 -63.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.02 -1.31 7.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.89 138.87 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -18.98 18.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.16 -43.68 77.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.97 0.56 57.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.27 133.54 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -134.2 98.22 4.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.09 119.89 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.79 148.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -151.16 127.43 10.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.81 21.67 3.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 -9.58 76.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 132.85 44.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -78.98 134.06 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 14.6 mt -71.97 113.25 8.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.83 115.33 26.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.05 105.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -12.42 2.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.443 1.089 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -96.51 153.17 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -94.02 147.1 23.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 61' ' ' ILE . 24.1 mt -59.52 -37.02 77.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 t -63.08 -38.64 92.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -17.78 63.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -100.58 1.16 40.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.575 1.172 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 54.96 49.26 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 45' ' ' PHE . 45.6 mt -78.84 128.24 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -94.69 156.03 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.07 132.23 23.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 56.84 55.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -75.06 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -106.76 98.34 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 mp -106.37 145.57 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 115.78 30.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CB ' HG21 ' A' ' 5' ' ' VAL . 1.1 tp -98.57 108.64 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' VAL . 23.4 ptp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -87.31 153.42 21.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.94 154.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.8 m-85 -118.88 97.28 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.38 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -106.96 151.12 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -103.5 168.93 8.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -63.68 -13.16 40.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.9 m -100.58 24.29 9.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.85 18.14 10.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -81.2 152.26 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -103.11 122.29 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.85 112.5 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.571 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.4 m -98.51 139.01 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.132 . . . . 0.0 110.46 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 135.44 35.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -97.4 119.7 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 1' ' ' MET . 20.5 m -139.63 -179.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.22 158.87 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.57 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -89.29 -25.05 21.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.15 142.88 57.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -85.51 173.41 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CG2' ' HE2' ' A' ' 27' ' ' LYS . 11.4 mm -57.77 -62.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -43.75 -35.97 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.316 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -65.99 -45.77 80.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' ILE . 21.9 t -63.42 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HE2' ' CG2' ' A' ' 23' ' ' ILE . 36.5 mtmt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.75 88.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -39.29 93.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.8 -37.18 78.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.3 tt0 -65.22 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.42 -28.76 13.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -75.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -57.81 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.26 32.58 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 8.4 mt -89.81 142.56 29.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 144.38 30.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -28.6 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.23 4.06 41.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.04 129.75 38.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.86 99.89 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mt -97.88 116.04 29.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.63 140.84 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 10.1 t80 -153.91 124.32 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.19 22.23 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.78 -16.08 48.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.04 133.42 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.753 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.09 136.97 36.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 59' ' ' TYR . 4.3 mt -79.28 110.03 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -89.42 134.38 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.11 110.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.77 -18.03 2.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -96.69 148.27 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.14 151.78 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.03 -41.3 97.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -62.32 -36.52 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -20.72 60.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CE2' HD22 ' A' ' 50' ' ' LEU . 33.1 m-85 -101.02 -5.3 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 55.14 58.71 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 3.4 mt -78.94 143.39 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -95.62 156.67 16.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 131.67 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 55.8 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -75.01 158.43 33.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.057 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.04 103.63 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.5 mp -109.1 149.92 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.11 110.53 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CB ' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -99.23 96.5 7.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 21.5 ptp . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.476 0.179 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -90.13 150.29 22.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -145.77 161.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.9 m-85 -119.06 104.36 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.183 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.06 141.95 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 151.45 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 13' ' ' ILE . 50.1 p -100.49 163.78 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -6.11 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -98.58 -20.87 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.87 1.99 34.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -73.35 141.39 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -101.9 123.41 45.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.423 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 7' ' ' THR . 3.0 mt -125.23 121.06 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 4' ' ' PHE . 3.5 m -95.7 141.39 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.09 130.44 37.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.76 106.96 18.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.5 m -130.15 178.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 160.35 26.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.49 20.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -89.24 -24.02 22.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.23 143.8 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -85.42 160.79 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.9 mm -57.79 -26.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -44.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' ND2' ' NZ ' ' A' ' 29' ' ' LYS . 59.4 t30 -66.0 -41.69 90.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.64 -47.46 91.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.85 86.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.07 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' NZ ' ' ND2' ' A' ' 25' ' ' ASN . 4.3 mtmm -63.78 -47.86 79.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.02 -34.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.0 tt0 -65.35 -52.64 52.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -29.73 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -68.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -63.48 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.42 -6.25 6.28 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 16.8 mt -81.49 141.48 48.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 0.808 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.584 1.834 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.27 8.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.41 -32.04 72.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -17.7 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.2 mt-30 -85.95 135.07 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -133.7 102.6 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.5 119.88 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -102.34 145.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -155.52 130.53 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 20.2 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -12.6 65.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.34 145.78 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -81.53 141.79 33.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.35 110.88 12.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ARG . 17.3 mt-10 -89.13 134.55 33.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -49.46 -45.33 46.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.44 -8.03 43.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mmt180 -103.33 139.0 39.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -99.61 160.3 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.087 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 61' ' ' ILE . 5.3 mt -62.19 -37.86 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -62.1 -41.44 98.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.62 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 13.4 m-85 -99.99 -10.45 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 56.77 61.04 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mp -79.42 147.08 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 61' ' ' ILE . 3.1 pt20 -105.21 154.58 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 132.11 24.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 54.9 56.05 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -75.23 168.87 19.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -107.55 99.58 9.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 7.3 mp -100.51 143.75 30.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 111.01 23.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 2.8 tp -94.0 102.77 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.37 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.8 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.536 0.208 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -92.39 149.53 21.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -138.98 160.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 5.4 m-85 -118.78 98.67 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -87.08 144.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -113.55 146.54 39.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -100.06 169.17 9.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 70' ' ' VAL . 15.8 tp -63.82 -13.33 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 t -100.5 28.67 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.62 23.75 6.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.15 146.15 28.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -103.15 117.78 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -125.1 117.06 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.461 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 2.8 m -99.39 140.5 33.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.13 136.81 37.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.7 tt0 -101.18 121.12 41.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.3 m -140.0 176.23 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.71 160.78 25.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.08 21.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 t -89.17 -24.09 22.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.053 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.59 143.03 56.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -85.58 169.08 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 27' ' ' LYS . 5.5 mm -64.66 -27.9 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -40.38 81.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.55 -44.41 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.98 -37.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 3.2 mttp -66.05 -48.44 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.375 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.47 74.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -64.62 -47.13 79.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.08 -34.32 67.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 43.5 tt0 -65.25 -55.25 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -31.71 66.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -74.94 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.09 -62.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.66 -2.51 6.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 4.2 mt -78.99 142.77 60.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 152.19 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -28.38 9.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.5 -41.09 80.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 14.34 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 36' ' ' ILE . 11.9 mt-30 -93.6 137.12 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 94.05 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -97.79 121.48 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -107.23 136.71 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.316 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 6.1 t80 -151.52 121.02 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.21 13.46 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.12 -5.09 68.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -108.01 137.92 45.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -84.52 135.75 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 7.2 mt -79.33 103.4 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.392 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 134.05 34.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.71 113.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.78 -23.38 2.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -96.95 136.03 38.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -90.92 156.1 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD23 ' CD1' ' A' ' 61' ' ' ILE . 1.7 mt -61.92 -28.19 69.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -63.09 -52.48 62.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.18 -14.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.506 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 12.5 m-85 -97.42 -14.9 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.84 64.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 mt -86.5 139.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.36 151.67 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -50.47 141.58 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 7.0 mt-10 54.61 47.3 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -75.32 150.83 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -100.3 104.17 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 4.0 mp -109.41 145.59 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -107.21 108.67 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CB ' HG23 ' A' ' 5' ' ' VAL . 2.3 tp -101.28 98.67 9.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 8' ' ' LEU . 9.3 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.474 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.7 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.504 0.193 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -91.13 149.57 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 2.5 pp -144.49 166.34 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.6 m-85 -118.29 104.87 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -93.35 146.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 144.47 33.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.9 163.54 12.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.52 -21.74 10.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.1 t -99.71 39.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.6 28.36 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 4.9 ttpt -83.89 149.39 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -101.06 113.68 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mm -124.28 116.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 4' ' ' PHE . 43.1 m -96.58 148.46 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.05 130.2 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -99.04 104.85 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' CA ' ' A' ' 1' ' ' MET . 33.8 m -130.48 -178.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 158.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -14.21 21.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -25.04 22.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.071 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.12 144.02 56.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.225 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -85.43 173.25 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.0 -33.23 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.57 -37.75 85.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.45 -43.23 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.5 t -63.98 -47.14 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -58.39 -46.73 85.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.72 76.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.1 -45.79 83.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.73 -33.18 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' GLY . 64.1 tt0 -65.3 -63.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.51 -29.8 11.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -77.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -77.18 -59.52 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.78 30.07 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 17.7 mm -89.56 141.66 28.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.578 0.811 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.95 145.59 31.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.781 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -29.78 7.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.96 -34.35 76.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.94 14.4 29.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 2.8 mm-40 -92.5 126.99 37.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -133.71 94.4 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mt -97.21 119.21 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.394 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -100.82 139.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.6 t80 -151.66 122.41 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.85 25.62 12.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.28 -11.65 60.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 130.71 50.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.41 140.68 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 mt -74.51 119.0 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.06 115.28 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.77 104.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.17 -13.89 2.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -96.63 150.47 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -91.22 143.7 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 7.1 mt -55.3 -34.13 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -63.41 -42.63 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -63.38 -17.87 63.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.73 -1.2 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 54.37 49.09 19.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 45' ' ' PHE . 8.8 mt -80.66 130.0 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.2 154.43 17.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 134.64 20.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.95 54.81 8.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -75.93 168.2 20.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -106.95 95.72 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.7 mp -109.15 147.16 32.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.65 114.54 28.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.078 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' CB ' HG21 ' A' ' 5' ' ' VAL . 5.6 tp -93.88 101.02 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' VAL . 11.9 ptp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.529 0.204 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -94.77 148.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.08 164.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.7 m-85 -118.85 105.07 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.1 p -94.77 152.16 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.22 148.71 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.5 p -99.88 164.9 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 70' ' ' VAL . 1.6 mt -65.61 -8.8 22.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.2 m -99.36 5.86 46.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.32 0.67 78.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -73.69 149.45 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -103.01 124.93 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mm -125.24 121.32 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.565 HG22 ' CD1' ' A' ' 4' ' ' PHE . 6.0 m -95.76 142.77 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -138.13 128.01 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -96.33 110.11 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 1' ' ' MET . 28.3 m -129.83 -178.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.56 160.51 26.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.05 20.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -89.29 -24.9 21.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.5 143.14 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 p -85.63 176.78 7.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -65.67 -39.51 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.71 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -47.32 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.84 -40.32 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' CE ' ' HG ' ' A' ' 43' ' ' LEU . 73.2 mttt -63.85 -43.48 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.35 -36.1 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' GLY . 59.4 tt0 -65.65 -55.75 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -24.21 55.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -68.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -91.85 -58.03 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.49 33.89 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 35.9 mt -90.32 142.59 28.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 145.5 31.23 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.54 -30.37 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 7.1 mm100 -98.24 8.06 45.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -93.31 128.81 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.59 98.55 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.63 115.35 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 mt -103.37 145.58 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.2 t80 -151.88 108.8 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.93 47.83 21.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.43 42.64 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 117.51 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.64 128.69 34.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 13.9 mt -79.03 112.09 15.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.99 121.55 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -47.42 104.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.64 -15.02 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -96.62 153.38 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 0.72 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -99.11 147.07 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.66 -33.6 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -63.05 -43.11 99.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -18.53 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 10.6 m-85 -97.95 -15.93 19.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.85 66.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.19 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.9 151.08 19.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.14 128.75 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 54.87 53.59 10.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -74.72 167.73 21.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.27 102.62 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -109.06 149.15 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 113.13 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 HD12 ' CD2' ' A' ' 43' ' ' LEU . 8.5 tp -98.08 95.87 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 8' ' ' LEU . 5.8 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.465 0.174 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.402 ' CG ' HG21 ' A' ' 14' ' ' THR . 15.1 tt0 -91.73 152.2 20.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.78 151.67 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.5 m-85 -119.15 100.04 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -91.11 147.33 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -106.61 144.61 33.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.65 166.58 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.408 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.15 -25.49 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 9' ' ' THR . 3.5 m -99.48 43.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.91 30.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 3.4 tttm -82.72 149.48 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 m -103.06 110.49 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.3 mt -119.92 109.81 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.425 HG22 ' CD1' ' A' ' 4' ' ' PHE . 7.5 m -96.94 142.48 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.33 139.72 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.75 110.62 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 1' ' ' MET . 25.0 m -132.15 177.6 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.2 158.84 32.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -14.21 21.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -25.08 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.13 144.42 57.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -85.31 166.26 16.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.06 -40.07 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.27 -36.82 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.75 -43.02 80.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.75 -45.13 98.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.4 mttt -61.89 -46.99 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.57 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -42.04 88.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.87 -35.22 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -65.45 -60.52 2.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.12 -29.78 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -72.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -88.46 -58.53 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.62 35.72 0.68 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 9.4 mt -89.51 142.61 29.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.88 142.66 28.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.45 1.763 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.89 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -68.31 -37.97 81.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 14.52 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.379 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 4.0 mm-40 -93.16 123.81 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CB ' HG12 ' A' ' 70' ' ' VAL . 3.7 mtt180 -133.75 97.47 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.67 119.62 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.3 148.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -153.02 116.9 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.89 26.22 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.34 -5.3 84.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.97 123.16 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.29 132.19 35.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -79.21 114.77 18.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -88.92 121.72 31.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 4.6 m-20 -47.35 104.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.55 -16.28 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -96.59 151.35 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.608 0.828 . . . . 0.0 110.356 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 p -94.57 144.58 25.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.51 -37.15 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -63.19 -39.78 95.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.54 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CE2' HD22 ' A' ' 50' ' ' LEU . 29.4 m-85 -98.29 -9.03 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t30 59.28 63.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.7 mt -88.97 133.16 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -95.33 156.7 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.47 139.29 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 9.8 mt-10 54.81 50.93 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -74.9 148.31 40.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.42 101.58 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.472 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mp -108.83 146.54 33.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -107.12 116.6 32.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.662 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CB ' HG21 ' A' ' 5' ' ' VAL . 3.1 tp -97.54 97.72 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG12 ' CB ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' VAL . 7.3 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.44 0.162 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -87.09 148.77 25.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.17 161.01 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.6 m-85 -118.58 101.59 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 p -90.12 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.86 147.91 29.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.7 p -100.17 159.33 15.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -6.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' CE ' ' A' ' 11' ' ' LYS . 68.8 m -98.63 -3.08 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 -4.06 83.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' CE ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -73.24 149.08 43.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -103.7 125.83 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -125.33 116.8 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 4' ' ' PHE . 7.1 m -95.79 143.52 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' CG1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.26 134.42 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.96 120.08 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 1' ' ' MET . 25.9 m -140.19 -176.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.38 158.8 32.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.85 20.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -23.38 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.75 148.11 51.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 ' CG2' HG22 ' A' ' 55' ' ' THR . 1.7 p -85.7 168.24 14.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 56' ' ' LEU . 21.7 mm -61.61 -35.36 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -36.71 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.22 -43.34 86.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.99 -45.19 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.85 98.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.17 90.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -63.8 -41.66 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mt -64.09 -33.7 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 42.5 tt0 -65.19 -54.97 21.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -29.32 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.64 -74.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -60.7 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.55 -4.54 5.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 5.3 mt -78.63 142.63 61.89 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 152.52 41.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.03 18.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.19 -42.67 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -91.75 4.34 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.7 tt0 -93.17 129.28 39.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -133.8 103.9 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 43' ' ' LEU . 7.6 mt -97.71 126.75 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -108.51 136.54 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CE2' HG12 ' A' ' 61' ' ' ILE . 8.3 t80 -153.54 129.46 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.12 20.37 12.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 -6.57 72.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.113 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -108.59 147.5 31.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 142.49 35.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 48.4 mt -72.12 114.87 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' ARG . 32.0 mt-10 -89.39 125.01 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -47.81 -51.25 23.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.35 -18.31 35.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLU . 26.9 mmt180 -96.71 143.69 27.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.411 HG22 ' CG2' ' A' ' 22' ' ' THR . 1.6 p -96.62 164.03 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 23' ' ' ILE . 15.6 mt -61.63 -41.84 98.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 t -62.02 -33.79 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -99.61 -4.55 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 54.68 56.9 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG12 ' CE2' ' A' ' 45' ' ' PHE . 6.8 mt -78.79 140.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 61' ' ' ILE . 6.0 mt-30 -94.85 149.17 21.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 134.4 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.0 45.28 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -71.72 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.04 107.05 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -109.23 145.91 35.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 115.1 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.59 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 7.7 tp -97.26 107.03 19.46 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.614 1.196 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 21.7 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.07 148.84 21.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -143.28 167.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.79 99.82 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -84.28 144.3 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 145.66 31.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.471 HG23 ' CD1' ' A' ' 13' ' ' ILE . 3.0 p -103.2 161.79 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -5.62 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 t -98.37 2.09 47.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 110.337 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.69 -3.52 74.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 7' ' ' THR . 10.2 tttt -73.08 148.43 44.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -103.27 127.87 50.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 7' ' ' THR . 1.2 mp -125.39 119.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.534 HG23 ' CE1' ' A' ' 4' ' ' PHE . 5.9 m -96.42 142.73 28.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' CD1' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -138.04 128.81 26.83 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 107.96 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' CA ' ' A' ' 1' ' ' MET . 21.0 m -132.24 -176.85 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.35 156.2 38.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -13.61 21.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -25.44 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.02 146.18 55.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -85.8 169.67 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.487 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 50' ' ' LEU . 10.9 mm -57.57 -60.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -44.68 -31.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.22 -43.99 60.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.9 t -63.72 -43.35 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -63.85 -43.81 95.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.6 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -65.0 -41.95 94.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.54 -36.2 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.6 tt0 -65.48 -58.59 5.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -26.88 33.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -71.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -89.72 -58.13 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.36 35.93 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 7.7 mt -89.88 142.53 29.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 142.3 27.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -28.81 8.82 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.591 1.837 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -31.03 71.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.72 12.32 37.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -92.83 127.95 38.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 96.68 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.67 117.75 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -107.36 142.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CE2' HG12 ' A' ' 61' ' ' ILE . 3.2 t80 -152.45 123.52 7.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.88 23.51 9.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.96 -13.09 64.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.96 128.54 46.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.805 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -84.67 131.65 34.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -79.24 107.05 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.1 137.74 32.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 106.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.2 -15.45 2.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 4.0 mmt180 -96.56 150.43 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.216 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -98.95 143.01 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.21 -39.99 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 t -63.43 -34.72 78.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -22.35 63.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 56.6 m-85 -100.71 -3.28 30.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 54.54 57.58 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.531 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.8 mt -79.04 140.38 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -95.16 154.08 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 129.88 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 55.16 51.16 13.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -74.1 169.35 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -104.53 104.18 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -108.62 149.84 28.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 111.96 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.574 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CB ' HG21 ' A' ' 5' ' ' VAL . 3.8 tp -99.15 95.32 7.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.455 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 17.5 ptp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.462 0.172 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.3 tt0 -88.13 149.9 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -142.45 162.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.403 1.064 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CE1' HG23 ' A' ' 14' ' ' THR . 6.1 m-85 -118.37 101.06 7.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -90.42 146.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -106.55 148.9 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.413 ' CG2' HD12 ' A' ' 13' ' ' ILE . 65.5 p -103.86 160.27 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.43 -5.76 12.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.6 m -98.64 3.72 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 -7.44 61.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -72.54 148.67 44.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 m -103.28 128.92 50.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.413 HD12 ' CG2' ' A' ' 7' ' ' THR . 92.7 mt -125.16 119.79 56.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.572 HG23 ' CE1' ' A' ' 4' ' ' PHE . 8.6 m -96.28 144.09 26.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 126.12 22.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 48.7 mt-10 -94.32 116.02 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' CA ' ' A' ' 1' ' ' MET . 17.3 m -137.8 -179.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.13 161.13 23.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -13.44 21.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 p -89.1 -25.65 21.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.62 143.17 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -85.77 171.05 11.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 33.3 mm -58.42 -42.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.22 -37.37 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -44.87 88.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CD ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -62.92 -41.39 99.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.4 90.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -63.85 -43.62 95.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.8 mt -63.22 -32.98 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.4 tt0 -65.4 -67.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -25.02 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -78.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.19 -54.45 5.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.1 26.53 1.85 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.51 141.64 28.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -75.02 149.11 36.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.82 12.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.382 1.727 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -36.71 80.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -96.22 12.44 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 4.7 mm-40 -92.97 125.81 37.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -133.83 97.31 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.39 119.43 35.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.99 147.89 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -152.76 105.93 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 47.29 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 8.74 51.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -108.03 114.05 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.74 128.09 33.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 6.9 mt -77.58 112.43 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE2' ' NH2' ' A' ' 54' ' ' ARG . 1.8 mp0 -86.13 116.53 24.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -47.39 104.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.79 -14.25 2.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 8.7 mtt180 -96.86 158.5 15.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -99.0 147.17 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -33.02 70.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -62.51 -46.6 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.87 -16.43 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.51 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 10.7 m-85 -98.07 -17.81 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.57 66.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.1 mp -88.8 142.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -94.74 154.08 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.33 124.69 10.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.11 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 55.26 51.01 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -66.73 166.87 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -102.52 100.73 10.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 7.0 mp -109.26 149.23 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 112.73 25.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.641 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CB ' HG21 ' A' ' 5' ' ' VAL . 1.8 tp -95.1 90.45 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 7.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' VAL . 13.3 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -88.56 148.99 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.79 159.88 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' CZ ' HG23 ' A' ' 14' ' ' THR . 7.3 m-85 -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -90.22 141.35 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.69 147.85 29.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -99.79 169.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.18 -12.44 40.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -100.61 12.87 36.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.07 16.98 69.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -76.58 147.88 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.0 m -103.11 119.87 39.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.15 114.03 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.578 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 2.0 m -96.01 137.39 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD2' HG13 ' A' ' 30' ' ' ILE . 11.1 tp -138.6 133.66 32.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.56 117.3 29.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 1' ' ' MET . 10.6 m -137.11 179.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -107.57 159.55 29.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.96 21.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.456 1.766 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -24.66 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.9 143.68 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -85.86 167.44 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 50' ' ' LEU . 18.1 mm -59.78 -33.66 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.42 -34.59 78.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -69.56 -48.14 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.83 -39.02 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.35 93.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -64.15 -45.01 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 15' ' ' LEU . 19.2 mt -63.08 -33.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 tt0 -65.74 -62.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.42 -32.26 17.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -77.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -62.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 120.45 14.98 5.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.088 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.85 144.38 32.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 151.59 39.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.88 10.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.62 -38.49 80.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 12.49 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -93.59 135.57 34.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 90.2 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.27 118.59 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.0 mt -105.62 140.46 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HG ' ' A' ' 67' ' ' LEU . 6.1 t80 -152.92 123.1 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.55 19.28 9.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.55 -17.67 56.99 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -99.8 130.13 45.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.59 137.68 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.4 mt -79.3 104.72 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.18 135.79 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 28.8 t0 -48.03 111.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.57 -15.78 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 12.2 mmt180 -96.9 146.78 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -99.57 144.59 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' CA ' HD12 ' A' ' 61' ' ' ILE . 9.8 mt -54.42 -39.08 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -63.12 -38.71 92.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.068 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -20.36 63.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 54' ' ' ARG . 14.5 m-85 -99.61 -7.17 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 54.65 57.39 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 7.1 mt -78.99 144.32 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.62 151.85 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -50.18 131.53 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 54.98 53.69 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -75.46 168.15 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.09 102.08 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 5.2 mp -105.99 146.06 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 43' ' ' LEU . 6.0 tp -98.07 98.97 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 14' ' ' THR . 18.4 tt0 -85.01 149.53 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.51 163.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD1' HG21 ' A' ' 14' ' ' THR . 5.4 m-85 -118.17 99.01 6.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 11.7 p -85.06 141.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 150.04 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -99.81 162.31 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -4.17 8.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.0 m -98.2 -25.32 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.66 -0.7 26.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -73.23 147.38 44.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.814 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.9 m -103.56 125.57 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mm -125.41 116.5 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG21 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.72 139.68 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -138.03 136.4 36.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' HD11 ' A' ' 15' ' ' LEU . 30.7 tt0 -98.93 119.49 37.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.63 -179.77 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.23 156.32 37.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.66 20.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -89.33 -16.88 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -71.1 148.46 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.9 p -85.52 170.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 16.0 mm -62.69 -41.53 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -33.75 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.298 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.92 -46.21 68.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' A' ' 56' ' ' LEU . 49.1 t -63.81 -41.13 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 43' ' ' LEU . 16.3 mtpt -66.07 -36.72 83.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.72 94.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.85 -49.99 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.76 -32.43 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' GLY . 39.3 tt0 -65.32 -56.95 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -25.81 66.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -75.11 -75.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.14 -56.06 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 124.74 4.34 7.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 89.7 mt -78.69 143.37 62.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 -31.4 6.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.95 -35.82 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 109.367 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 5.0 tp60 -90.82 4.33 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 26.1 mt-30 -93.79 136.12 34.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -133.48 100.53 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 5.1 mt -97.03 117.68 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -106.15 130.73 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 5.2 t80 -151.04 141.76 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 19.87 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.78 -10.73 61.57 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.91 145.53 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -80.94 142.63 33.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 15.1 mt -74.83 121.07 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -88.54 112.82 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -47.16 103.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.01 -14.89 2.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.91 152.63 18.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -91.23 152.1 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.417 ' CD1' HG22 ' A' ' 26' ' ' VAL . 16.5 mt -61.36 -36.44 80.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.3 t -63.22 -37.9 89.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.08 -19.07 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -97.92 -3.58 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 45.0 t-20 54.79 53.29 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -82.62 138.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 21.2 mm-40 -98.22 149.65 22.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.9 ttpt -50.59 141.99 11.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 53.84 38.12 27.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.54 172.78 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.058 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -107.57 107.53 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -109.2 142.63 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 114.28 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.681 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 12.8 tp -99.0 100.25 11.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.99 149.25 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -144.5 163.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.9 m-85 -118.67 98.6 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 9.3 p -83.75 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -114.06 147.29 38.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -99.91 165.1 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.93 -13.07 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -100.78 20.8 14.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.8 23.93 61.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.565 1.165 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.73 146.32 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -103.62 114.74 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.2 mt -125.08 120.15 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.584 HG22 ' CE1' ' A' ' 4' ' ' PHE . 92.0 m -95.79 149.6 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.52 134.49 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.02 107.42 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 1' ' ' MET . 34.2 m -135.12 -179.78 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -107.28 158.39 33.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.61 21.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 p -89.26 -24.3 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.27 146.69 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.46 175.0 9.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.348 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 50' ' ' LEU . 6.0 mm -67.56 -27.42 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -69.2 -42.9 75.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -44.57 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.85 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -40.53 90.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -64.29 -41.47 96.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' GLU . 45.4 mt -64.74 -37.84 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.4 tt0 -62.74 -59.0 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -26.39 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -78.51 -72.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -69.29 -60.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.16 -4.3 5.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -78.72 142.55 61.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 153.58 41.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.09 -25.86 11.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -69.15 -43.37 74.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.55 13.71 15.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.385 1.053 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' CG ' HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.08 134.47 36.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -133.63 98.29 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 69' ' ' LEU . 7.2 mt -97.32 121.45 39.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.75 136.68 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 7.6 t80 -151.45 124.17 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.42 20.05 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.9 -11.21 69.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -104.35 134.61 47.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 0.758 . . . . 0.0 109.212 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.46 140.86 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 23' ' ' ILE . 10.7 mt -76.21 118.38 18.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -89.08 120.02 30.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.03 103.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.15 -15.79 1.91 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -96.72 149.29 21.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -94.37 151.99 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 61' ' ' ILE . 4.5 mt -57.56 -37.57 73.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.25 -40.96 98.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.96 -20.63 58.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.83 -6.76 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 55.08 57.3 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mt -78.9 148.71 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.0 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -51.12 127.21 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 10.2 pt-20 48.91 48.3 20.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' HG22 ' A' ' 61' ' ' ILE . 20.6 t -64.62 172.82 2.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -105.03 107.06 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.0 mp -109.18 144.61 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -106.92 115.3 29.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.7 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -102.23 106.72 17.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.3 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.546 0.212 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.41 ' CG ' HG21 ' A' ' 14' ' ' THR . 17.1 tt0 -92.64 152.83 19.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pp -143.86 161.58 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -118.96 119.66 34.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -108.31 155.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 143.71 44.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.0 p -101.05 173.05 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -15.09 57.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 9' ' ' THR . 6.4 m -98.93 24.86 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.4 20.27 5.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -83.83 151.21 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -102.97 122.26 44.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -124.97 119.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 4' ' ' PHE . 1.9 m -95.9 139.26 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.86 135.47 36.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.93 113.47 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.8 m -129.86 174.48 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.29 159.64 29.39 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.77 21.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -89.26 -19.42 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.99 142.88 45.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -85.49 171.35 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 16.6 mm -58.16 -43.6 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.54 -32.97 70.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -48.48 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.91 -37.26 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 8.2 mttp -66.19 -47.13 74.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.62 74.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -64.93 -44.68 88.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -64.06 -33.4 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.5 tt0 -65.25 -63.09 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -22.42 60.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.39 -74.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -56.69 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.11 0.63 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 14.6 mt -78.28 143.36 64.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.804 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.04 152.23 40.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.92 -26.19 11.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -44.02 73.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.83 20.03 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 1.9 mt-30 -94.08 133.6 37.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 12.2 ttt180 -133.43 89.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -97.22 121.39 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.28 143.06 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -152.79 120.15 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.09 13.58 8.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.21 -4.1 70.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.33 137.41 45.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.33 139.0 36.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 18.2 mt -75.44 115.91 15.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 112.86 24.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.13 104.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.93 -14.43 2.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.3 mtt-85 -96.68 150.84 20.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.5 p -99.06 150.47 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.37 -28.13 69.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 t -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.48 -15.17 24.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.52 -14.28 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 54.9 69.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 17.0 mm -88.02 142.68 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.03 145.8 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -50.67 133.07 26.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 54.55 53.85 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -75.19 166.5 23.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -107.18 100.63 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 mp -109.13 145.17 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.46 110.19 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tp -96.64 93.75 6.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 3.6 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.462 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.22 149.46 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -139.06 163.05 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 14' ' ' THR . 9.0 m-85 -118.68 103.0 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 7.8 p -88.87 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.15 145.05 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -100.71 159.64 15.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.46 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -3.1 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.3 m -98.1 -9.92 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.95 -6.45 69.5 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.14 149.59 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -103.55 127.58 50.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 29.5 mm -125.44 117.14 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.536 HG22 ' CD1' ' A' ' 4' ' ' PHE . 5.0 m -95.96 142.26 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.35 132.28 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -97.11 113.62 25.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 1' ' ' MET . 33.8 m -132.95 177.45 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 160.95 24.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.64 20.64 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -89.29 -24.24 22.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.54 143.13 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -85.69 173.64 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.3 mm -61.78 -36.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.3 pt-20 -63.69 -37.86 88.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 t-20 -67.35 -44.3 79.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.0 -43.09 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -63.88 -42.06 97.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.1 88.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -42.41 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.16 -33.96 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.0 tt0 -65.48 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.22 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.89 -27.4 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -74.8 -78.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -56.88 4.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.03 28.93 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 13.8 mt -89.72 142.47 29.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.97 145.65 31.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -26.2 11.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -68.19 -42.63 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.12 14.9 12.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 4.7 mm-40 -93.14 124.62 37.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -133.47 97.58 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.4 120.6 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.82 141.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -154.48 126.4 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.6 17.92 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.54 -12.23 70.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -103.68 137.11 42.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.6 141.72 31.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.197 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 14.2 mt -75.85 119.96 20.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.06 115.56 26.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -47.27 103.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.46 -14.83 2.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -96.84 146.7 24.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.5 p -90.27 149.72 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.91 -28.77 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -62.44 -50.85 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.39 -13.22 37.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -97.84 -13.62 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 54.95 60.38 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 9.6 mm -78.91 146.39 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.88 145.54 24.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.43 125.19 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 54.8 49.28 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -72.09 172.51 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -107.11 107.91 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 67' ' ' LEU . 4.7 mp -108.76 149.79 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -107.16 110.59 22.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.615 1.197 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 5.9 tp -94.63 98.88 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.953 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.2 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.418 0.151 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -95.12 152.07 18.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.59 157.5 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' HG22 ' A' ' 14' ' ' THR . 7.0 m-85 -120.22 105.9 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 69' ' ' LEU . 5.2 p -95.62 152.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.379 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -107.9 148.57 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.5 p -105.77 167.17 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -15.71 58.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 9' ' ' THR . 2.9 m -99.21 24.64 7.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.78 18.23 7.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.07 150.9 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -99.71 124.34 44.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.9 mm -125.23 113.96 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 4' ' ' PHE . 3.4 m -95.92 140.12 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.26 134.22 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -100.89 109.82 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 1' ' ' MET . 5.6 m -130.01 178.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.35 160.33 26.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.71 21.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -24.7 22.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.79 145.31 54.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.1 p -85.71 173.0 10.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CD1' HD12 ' A' ' 50' ' ' LEU . 5.4 mm -62.54 -37.75 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -37.13 85.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -45.9 74.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' CG2' ' A' ' 23' ' ' ILE . 1.7 mtpt -66.09 -42.75 88.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.37 81.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.55 -45.97 81.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' GLU . 20.6 mt -63.39 -35.72 73.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.3 tt0 -65.29 -58.44 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -32.51 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -76.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.95 -61.57 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.09 10.29 6.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 9.1 mt -87.61 142.79 33.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 158.18 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.95 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.432 1.754 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -68.94 -38.68 79.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.99 5.64 49.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' NE2' HG23 ' A' ' 30' ' ' ILE . 1.8 tt0 -93.45 128.08 39.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -134.05 100.56 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mt -97.76 121.39 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 mm -109.18 142.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t80 -151.62 117.79 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.76 33.54 23.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.46 0.98 59.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -101.19 124.56 47.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.02 125.19 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 59' ' ' TYR . 8.0 mt -79.58 103.04 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 135.46 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.349 1.03 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.12 108.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.86 -17.73 2.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -96.7 142.95 28.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 p -98.88 153.55 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 61' ' ' ILE . 3.7 mt -61.22 -28.24 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -63.14 -54.67 34.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.923 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.1 -17.34 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.5 m-85 -97.58 -15.81 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 54.86 66.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.455 HD12 ' CD2' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -83.69 144.2 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 61' ' ' ILE . 2.9 mm-40 -95.23 152.48 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 127.98 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 54.88 49.74 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -67.81 168.13 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.36 98.36 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 mp -104.69 149.91 25.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.07 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CB ' HG21 ' A' ' 5' ' ' VAL . 11.2 tp -97.97 90.13 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.0 ptp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -87.66 149.79 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -142.97 161.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.2 m-85 -118.67 103.79 10.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 69' ' ' LEU . 7.6 p -92.48 147.21 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -108.58 155.12 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -99.98 164.53 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.62 -11.39 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 15.0 t -99.97 -10.95 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.05 13.09 43.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 7.9 mtpt -75.06 151.09 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 m -103.39 117.87 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.07 113.4 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 4' ' ' PHE . 13.9 m -95.74 143.4 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.64 134.55 33.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -99.24 119.67 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 1' ' ' MET . 14.8 m -140.11 178.59 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -107.4 161.34 23.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -15.82 20.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.29 -24.59 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.24 143.91 56.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -85.38 171.93 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 27.7 mm -59.46 -49.57 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -54.62 -36.72 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -65.64 -44.33 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.71 -44.57 98.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -41.04 99.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.07 88.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -64.45 -43.9 92.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 21.1 mt -63.76 -34.91 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLY . 34.9 tt0 -65.09 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -31.1 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -77.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.71 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.52 -0.54 6.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 20.0 mt -78.8 143.02 61.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 152.45 40.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -18.28 18.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.47 -42.12 79.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -91.46 0.79 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -93.21 126.0 38.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.84 103.83 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -97.55 122.89 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -104.54 144.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.2 t80 -152.5 130.17 11.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.17 16.82 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 -12.8 68.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.31 136.69 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.774 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -79.17 140.93 37.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 13.4 mt -75.92 117.13 17.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.28 114.63 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.19 104.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.68 -15.94 2.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -96.81 155.88 16.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 p -99.28 148.02 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.27 -31.91 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.7 t -63.19 -41.92 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.041 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -18.51 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -98.3 -10.03 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 55.45 59.87 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG12 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -82.05 142.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.75 153.51 17.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.47 130.01 23.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.6 mp0 54.91 53.3 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -72.1 170.96 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.42 104.61 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.2 mp -108.94 146.2 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -107.11 114.73 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.438 ' CB ' HG21 ' A' ' 5' ' ' VAL . 8.4 tp -94.95 104.05 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.967 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.504 0.192 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.92 149.08 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.9 157.44 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.3 m-85 -118.71 99.41 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 10.2 p -88.88 143.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 150.88 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 13' ' ' ILE . 47.1 p -99.95 164.06 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.34 -6.21 13.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -98.52 -21.47 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.93 3.66 34.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -73.55 146.67 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -103.13 121.47 42.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 7' ' ' THR . 26.8 mt -125.26 117.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 4' ' ' PHE . 22.4 m -95.67 146.22 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' CD1' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -138.27 136.47 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -100.95 112.3 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 1' ' ' MET . 22.8 m -135.11 -177.68 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.2 158.17 33.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -14.97 20.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.36 -24.13 22.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.933 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 146.47 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.5 p -85.71 169.52 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.9 mm -62.68 -32.67 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.24 -38.74 85.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -47.87 72.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 56' ' ' LEU . 93.1 t -64.0 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' CD ' ' OE1' ' A' ' 41' ' ' GLN . 9.1 mtmt -65.17 -40.84 94.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.2 96.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.34 97.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.99 -35.88 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 tt0 -64.91 -52.42 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -31.06 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.12 -72.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' CD ' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.21 -61.29 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.88 -6.27 6.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 3.0 mp -79.7 142.65 57.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.09 154.24 41.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -23.22 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.66 -44.39 74.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.9 19.42 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 8.0 mt-30 -93.43 138.65 31.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.71 84.51 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -97.13 124.12 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -109.67 144.41 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t80 -159.41 125.32 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.37 20.72 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.74 -7.22 77.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.56 146.05 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -79.03 142.16 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 19.1 mt -68.92 110.85 4.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -89.2 126.09 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -51.49 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -19.03 26.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -97.0 141.21 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 p -98.01 167.69 10.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 26' ' ' VAL . 14.3 mt -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 t -61.79 -37.11 83.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -19.94 64.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -98.72 -5.89 30.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.3 t30 56.95 54.5 6.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 45' ' ' PHE . 11.8 mt -80.87 139.61 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -94.89 156.88 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 130.57 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mp0 54.48 54.67 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.467 ' CB ' HG22 ' A' ' 61' ' ' ILE . 7.8 m -75.23 166.83 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -103.44 105.93 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 4.0 mp -109.07 145.54 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -107.06 109.26 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.636 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 5.7 tp -94.03 112.21 24.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 3' ' ' ILE . 26.5 tt0 -92.1 146.64 23.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -137.35 160.63 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 14' ' ' THR . 5.9 m-85 -120.82 108.93 14.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.8 147.69 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -108.44 157.35 18.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -99.86 166.22 11.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -64.95 -10.75 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 14.8 t -99.9 -22.13 15.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 11.49 17.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 14.9 mttt -73.81 147.72 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -103.39 119.51 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -125.07 115.76 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 7.5 m -95.77 143.01 27.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.26 138.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.21 118.47 37.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 1' ' ' MET . 22.8 m -140.32 176.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -107.28 161.67 22.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.09 21.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -89.24 -25.43 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.46 143.35 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.5 p -85.58 170.15 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 11.2 mm -58.6 -40.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -36.86 81.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.205 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.71 -45.28 83.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.7 -44.96 98.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -42.04 98.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.7 88.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.9 -41.0 97.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.4 -35.57 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.8 tt0 -64.42 -59.39 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -26.81 63.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -75.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -68.53 -59.26 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.76 -3.74 5.36 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.502 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 7.8 mt -78.41 143.57 64.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.425 0.72 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.03 152.21 40.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.393 1.733 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.98 -18.14 19.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.87 -43.95 74.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.02 17.73 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 110.23 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 38' ' ' PRO . 12.7 mt-30 -93.77 131.36 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -133.9 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 69' ' ' LEU . 4.8 mt -96.62 120.66 37.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.37 141.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' A' ' 61' ' ' ILE . 1.1 t80 -151.76 118.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.63 23.08 12.87 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.48 -0.89 88.49 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -108.52 134.8 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 132.34 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 11.6 mt -70.3 113.51 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 118.24 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 -14.65 2.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -96.43 144.23 26.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -93.43 143.76 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.16 -35.4 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.361 1.038 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -62.88 -48.0 80.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 -12.92 42.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 1.2 m-85 -97.91 -16.07 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 65.02 59.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.591 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 15.7 mm -81.94 140.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -96.82 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.85 129.22 22.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.7 mp0 54.52 55.19 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.234 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 p -70.82 156.79 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.967 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.7 mp -109.28 146.57 34.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -106.75 113.38 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 43' ' ' LEU . 4.4 tp -94.45 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 8' ' ' LEU . 83.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.8 ptp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -89.48 150.36 22.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.441 ' CD1' ' C ' ' A' ' 3' ' ' ILE . 1.6 pp -140.81 156.86 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 14' ' ' THR . 6.6 m-85 -119.26 108.1 14.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -97.8 150.79 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.8 148.53 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 p -101.35 162.98 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -66.32 -6.65 14.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 m -98.51 -5.67 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.09 81.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.05 148.69 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -103.59 130.5 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.0 mt -125.37 123.51 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 2.3 m -98.59 138.89 35.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.38 135.14 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -100.45 119.11 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 1' ' ' MET . 35.5 m -136.68 179.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.3 156.82 36.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.97 21.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -25.02 21.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.44 146.56 54.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -85.43 171.69 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 50' ' ' LEU . 22.2 mm -57.93 -53.47 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.94 -36.93 50.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -44.34 90.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.54 -44.95 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -37.04 85.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.85 98.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -63.68 -46.94 83.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' OE1' ' A' ' 34' ' ' GLU . 25.2 mt -63.14 -32.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 33.0 tt0 -65.37 -63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -27.82 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -78.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' OE1' ' CG2' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -68.98 -58.1 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.48 19.09 3.54 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 13.9 mt -89.24 142.97 30.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.217 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.03 148.23 34.89 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.514 1.797 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.11 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -68.75 -39.4 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.235 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -93.77 6.79 47.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.32 130.53 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -133.93 100.6 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.86 120.72 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -104.51 142.05 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.4 t80 -154.5 125.32 7.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.91 17.41 7.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -4.37 82.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.96 137.99 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.216 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.73 136.41 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 23' ' ' ILE . 21.0 mt -71.56 116.05 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.04 114.5 25.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -47.06 105.68 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.82 -12.47 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.51 154.8 17.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -97.18 144.39 27.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.03 -36.35 72.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -61.81 -45.85 92.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -14.06 50.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -98.68 -11.95 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.92 61.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 45' ' ' PHE . 5.9 mm -87.9 135.95 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -96.05 153.45 17.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 130.75 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.73 55.13 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 m -74.08 168.25 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -106.75 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -105.21 148.02 27.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -107.37 112.16 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 41' ' ' GLN . 8.3 tp -95.11 97.73 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 8' ' ' LEU . 74.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -89.28 149.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.74 167.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.513 ' CD1' HG22 ' A' ' 14' ' ' THR . 4.9 m-85 -117.67 99.24 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 69' ' ' LEU . 2.1 p -89.37 147.06 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.82 156.93 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.92 162.33 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.23 -6.53 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -98.45 -14.94 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 1.16 55.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.67 42.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -103.17 121.74 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.36 120.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.513 HG22 ' CD1' ' A' ' 4' ' ' PHE . 14.3 m -97.05 145.25 26.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -136.26 130.71 33.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.38 107.58 19.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.24 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.506 ' O ' ' CA ' ' A' ' 1' ' ' MET . 15.1 m -129.83 -178.56 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -107.39 160.03 28.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -13.64 21.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.567 1.825 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.37 -22.7 22.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 109.986 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 144.39 54.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -85.66 170.2 12.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 23.1 mm -58.04 -47.18 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.9 -39.99 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.09 -42.34 99.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -63.73 -48.82 84.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -59.67 -40.85 89.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.81 -40.31 96.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.8 -36.53 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.1 tt0 -65.44 -60.51 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -30.76 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 10.3 tttt -75.01 -74.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.17 -59.71 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.37 34.43 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 6.0 mt -89.66 142.62 29.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.01 143.03 28.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.84 11.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.33 -33.5 74.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.12 14.47 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 3.3 mm-40 -93.18 124.95 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.58 97.26 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD1' ' HD2' ' A' ' 27' ' ' LYS . 7.6 mt -97.17 120.28 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.93 142.04 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -154.74 130.76 10.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.76 20.86 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.369 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -11.29 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -103.51 139.01 39.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 0.701 . . . . 0.0 109.325 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -82.7 140.35 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 10.7 mt -73.65 121.46 20.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.73 111.73 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 p-10 -47.1 102.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.21 -16.27 1.9 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -96.83 156.64 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.99 146.06 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' CA ' HD12 ' A' ' 61' ' ' ILE . 4.0 mt -52.35 -31.92 35.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -17.08 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CB ' HD11 ' A' ' 61' ' ' ILE . 36.6 m-85 -99.0 -8.63 25.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.68 50.89 14.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -79.57 140.77 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.81 149.48 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -50.93 141.53 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.34 46.38 26.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 171.63 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.69 104.35 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.9 mp -109.43 143.31 39.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.47 112.0 24.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.626 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CB ' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -95.46 101.33 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 8' ' ' LEU . 91.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.494 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.489 0.185 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 37.6 tt0 -92.95 149.55 21.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.466 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.86 171.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.6 m-85 -118.74 101.63 8.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.02 139.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.72 28.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -99.88 169.38 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.25 -12.32 40.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 1.1 t -100.63 15.49 27.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.03 63.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 8.3 tttt -74.46 145.94 43.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -103.12 114.2 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.92 118.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 4' ' ' PHE . 17.0 m -96.01 145.3 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -138.21 130.42 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -97.61 108.06 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' O ' ' CA ' ' A' ' 1' ' ' MET . 20.2 m -130.94 -178.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.26 159.27 30.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -15.16 21.1 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -23.33 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.8 146.72 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -85.53 171.72 11.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 50' ' ' LEU . 17.6 mm -60.98 -44.17 97.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -31.59 71.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.53 -49.45 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.73 -38.61 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.206 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' HD12 ' A' ' 43' ' ' LEU . 3.7 mtmp? -66.38 -41.77 88.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.95 91.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.92 -45.31 89.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' GLU . 17.7 mt -63.99 -35.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.2 tt0 -65.36 -58.26 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -54.5 -31.61 56.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -75.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ILE . 12.2 mm-40 -62.71 -63.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.36 -1.05 6.54 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.2 mt -78.72 136.82 58.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.78 42.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -13.61 21.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.43 -50.04 49.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.0 22.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' OE1' ' CD2' ' A' ' 43' ' ' LEU . 5.1 mm-40 -93.6 128.03 39.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -133.72 92.91 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.479 ' CD2' ' OE1' ' A' ' 41' ' ' GLN . 7.3 mt -97.18 117.64 31.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.7 140.2 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -151.5 129.23 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.908 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 23.87 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.206 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 -4.41 83.42 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -106.46 133.65 50.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.46 138.42 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 23' ' ' ILE . 6.6 mt -78.44 115.34 18.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.09 120.62 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -48.1 105.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.61 -13.46 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -96.7 156.12 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 p -98.52 151.58 20.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.06 -38.68 87.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -63.52 -37.03 85.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.18 -19.43 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -98.37 -2.89 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 54.72 50.02 16.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.379 1.049 . . . . 0.0 109.357 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 63.8 mt -83.02 138.22 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -95.93 153.22 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.4 142.54 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.7 mt-10 53.67 46.11 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 171.17 14.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.47 103.37 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.22 139.6 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.52 107.64 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.92 101.48 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.482 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 14.4 ptp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.479 0.181 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 34.0 tt0 -90.97 149.08 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -141.85 167.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.2 m-85 -118.83 102.2 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.21 139.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -106.97 146.04 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 m -99.9 170.53 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 tp -63.77 -13.17 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 m -100.67 28.51 5.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.58 4.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -82.07 147.89 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 m -103.17 118.8 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mp -125.14 115.13 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 4' ' ' PHE . 2.5 m -95.74 140.02 31.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -137.93 128.92 27.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.17 120.35 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.482 ' O ' ' CA ' ' A' ' 1' ' ' MET . 17.9 m -140.13 178.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.07 161.62 22.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -15.02 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -24.33 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.81 144.43 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.2 p -85.58 170.75 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' ARG . 8.3 mm -62.57 -42.23 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -35.12 76.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.6 73.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.85 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -65.37 -42.08 93.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.8 85.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -63.85 -47.85 79.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.01 -32.76 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.2 tt0 -65.24 -55.47 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -30.53 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -74.86 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.15 -61.68 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.42 -2.37 6.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 22.4 mt -78.75 143.31 62.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.92 154.88 43.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.41 13.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -68.36 -32.23 72.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -99.29 13.74 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 17.9 mt-30 -93.56 134.56 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 2.6 ttm-85 -133.74 93.47 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 69' ' ' LEU . 3.6 mt -97.05 120.0 36.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -107.77 141.09 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -151.0 114.65 4.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 42.81 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.47 9.36 43.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 123.75 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -78.97 130.84 35.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -75.08 113.5 12.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 1.8 mp0 -89.09 113.78 24.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -46.93 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.08 -13.64 2.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ILE . 4.3 mpt_? -96.72 154.78 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -97.18 144.75 26.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mt -55.5 -34.92 65.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 t -63.11 -41.14 99.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.28 61.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 8.2 m-85 -99.71 -15.63 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 65.02 64.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 59' ' ' TYR . 1.2 mp -88.99 140.01 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -95.85 156.69 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.18 130.24 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 54.44 54.32 9.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -72.81 169.36 16.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.16 103.2 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.11 143.29 38.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.89 105.82 16.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.638 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 43' ' ' LEU . 8.8 tp -94.65 95.86 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 4.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' VAL . 8.5 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.177 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -89.18 149.26 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -139.03 161.69 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 14' ' ' THR . 7.5 m-85 -118.85 102.41 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.436 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -89.8 148.47 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.72 153.01 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.412 ' OG1' ' CD1' ' A' ' 13' ' ' ILE . 2.6 m -100.93 167.53 10.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.608 1.192 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 2.1 pp -64.23 -17.24 63.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -98.77 6.03 47.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 24.04 66.92 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -82.15 154.94 25.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -103.74 118.04 35.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.374 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.412 ' CD1' ' OG1' ' A' ' 7' ' ' THR . 2.7 mp -125.29 111.14 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.562 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -95.74 139.36 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -138.25 134.58 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -96.17 111.92 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 1' ' ' MET . 35.3 m -129.84 176.82 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -107.48 161.33 23.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -14.1 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.761 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -89.46 -25.14 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.77 141.69 57.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.4 p -86.04 175.12 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -60.04 -47.93 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 1.8 pt-20 -56.71 -29.88 62.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -71.47 -46.96 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.05 -37.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.228 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -66.15 -49.94 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -66.97 -45.38 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.37 -34.21 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLY . 28.5 tt0 -65.65 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -28.74 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -79.9 -58.49 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.38 32.7 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 27.6 mm -90.0 143.04 29.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.02 147.37 33.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -31.71 5.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -37.73 79.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.422 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -91.39 8.51 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 132.29 38.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.85 99.15 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 6.5 mt -97.78 118.06 33.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.83 142.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 t80 -150.97 113.43 4.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.87 40.72 32.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 6.17 52.43 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -104.45 122.92 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.08 126.04 30.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 16.2 mt -73.17 112.61 9.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.08 116.19 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -47.17 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.87 -10.88 3.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -96.42 153.9 17.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.74 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 p -98.67 141.95 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.36 -34.75 66.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -62.8 -41.65 99.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -17.75 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -98.5 -13.73 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.24 64.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.507 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mt -88.58 140.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.59 152.41 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.39 131.01 24.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.85 55.36 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -75.52 171.03 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.23 100.75 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.6 mp -108.19 147.0 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.45 115.86 30.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CB ' HG21 ' A' ' 5' ' ' VAL . 5.2 tp -101.46 94.24 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 9.1 ptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.538 0.208 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.59 154.3 20.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.46 164.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.79 101.87 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -91.19 145.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.98 24.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.9 p -99.74 166.59 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CG ' HG21 ' A' ' 70' ' ' VAL . 2.6 mt -65.35 -8.7 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -99.36 -5.96 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.53 7.27 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -73.7 150.52 41.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 m -102.88 120.96 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.09 118.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CE1' ' A' ' 4' ' ' PHE . 5.5 m -95.89 141.35 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.42 134.87 34.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -99.19 119.81 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' CA ' ' A' ' 1' ' ' MET . 27.8 m -140.08 177.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.33 160.85 25.04 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.94 21.24 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.604 1.844 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -89.29 -25.29 21.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.7 144.16 57.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -85.49 171.28 11.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.8 mm -61.18 -39.3 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -35.73 81.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -66.63 -47.27 73.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.84 -41.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -61.96 -48.54 79.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.16 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.15 -41.94 96.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.82 -38.03 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.3 tt0 -65.38 -58.84 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 -31.03 14.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -72.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.74 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.64 19.84 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 6.4 mt -89.18 143.14 30.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.95 154.51 42.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.52 10.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -38.31 79.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -91.14 4.33 52.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 69' ' ' LEU . 1.8 tt0 -93.35 127.99 39.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.55 105.71 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 43' ' ' LEU . 6.7 mt -97.66 122.49 40.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -107.81 132.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.0 129.52 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.3 20.27 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.24 50.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.32 140.87 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -82.06 142.85 31.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' A' ' 59' ' ' TYR . 13.3 mt -76.48 122.15 24.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.18 114.36 23.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -46.83 104.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.11 -13.32 2.82 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 145.12 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 144.52 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.79 -31.91 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.8 t -62.97 -46.92 85.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.072 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -15.54 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CE2' HD22 ' A' ' 50' ' ' LEU . 3.6 m-85 -98.57 -12.37 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 57.11 65.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.87 145.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.76 153.87 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 125.33 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 54.65 53.28 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -69.82 166.6 19.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -101.68 103.51 14.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.7 mp -109.11 144.0 37.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -107.1 116.7 32.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 0.0 109.644 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 41' ' ' GLN . 10.8 tp -100.0 95.49 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 8' ' ' LEU . 8.8 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.9 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.45 0.167 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.75 147.9 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.71 162.16 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 14' ' ' THR . 6.0 m-85 -118.98 110.44 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -102.33 139.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -107.49 145.24 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -99.79 173.25 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.22 -9.59 24.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.9 m -99.18 22.04 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.17 8.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.2 146.99 27.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -103.28 121.99 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.08 118.93 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 8.4 m -95.65 143.66 26.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -138.1 125.47 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.68 114.92 26.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 29.8 m -138.8 -175.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.25 159.26 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.62 21.37 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -89.21 -24.44 22.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.06 144.07 56.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -85.65 171.42 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 40.1 mm -57.73 -57.0 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -36.61 14.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -44.31 87.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.19 -49.07 84.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.91 82.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.41 95.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.64 -41.43 98.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.74 -35.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.1 tt0 -65.32 -63.07 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -29.28 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 1.1 mtpt -75.93 -76.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.98 -58.22 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.7 21.46 2.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 41' ' ' GLN . 9.0 mt -89.3 138.14 28.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 151.61 40.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.2 6.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -68.27 -24.96 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -93.5 -41.48 9.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 pt20 -82.76 137.51 34.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.68 113.97 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -99.44 121.6 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.16 153.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -158.25 130.21 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 20.39 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.05 -6.69 80.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.74 137.05 44.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 0.817 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -79.16 135.56 36.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 59' ' ' TYR . 27.6 mt -68.98 114.99 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -89.1 115.79 26.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.228 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -47.22 105.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.08 -12.67 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.45 154.66 17.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 0.795 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -98.99 144.11 28.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 61' ' ' ILE . 12.6 mt -53.15 -36.57 61.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 t -63.05 -41.89 99.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.4 58.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.9 m-85 -98.19 -8.53 27.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.6 59.68 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.2 mt -81.37 138.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -98.23 158.65 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -50.53 132.73 25.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 54.49 55.25 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -74.64 151.73 39.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -97.23 109.92 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mp -109.17 146.99 33.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 110.33 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 41' ' ' GLN . 2.5 tp -98.8 103.74 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.963 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptp . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -86.47 150.76 24.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.53 161.34 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD1' HG22 ' A' ' 14' ' ' THR . 8.7 m-85 -118.94 98.88 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.27 137.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.03 145.45 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -99.84 169.89 8.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.07 -12.83 42.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m -100.7 28.76 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.03 23.13 5.25 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -83.16 145.8 29.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 0.81 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -103.4 118.63 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 84.9 mt -124.9 117.16 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.6 m -96.18 138.83 33.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.491 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 30' ' ' ILE . 9.4 tp -138.35 134.93 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.393 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -97.46 118.29 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.71 -178.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.49 158.87 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.35 21.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -89.31 -23.66 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.088 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.96 142.89 54.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.2 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.5 p -85.97 167.1 15.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.479 HG21 ' CD ' ' A' ' 27' ' ' LYS . 19.3 mm -57.78 -28.71 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 1.7 tt0 -67.37 -41.11 85.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.92 -46.42 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.0 t -64.01 -41.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' HG21 ' A' ' 23' ' ' ILE . 33.2 mtpt -62.53 -45.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.59 78.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 15' ' ' LEU . 21.7 mt -63.29 -34.89 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.2 tt0 -65.66 -60.94 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -32.14 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.387 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -74.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE2' ' CD1' ' A' ' 13' ' ' ILE . 3.1 mt-10 -66.23 -63.65 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 126.47 4.5 6.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 9.5 mt -78.4 143.06 63.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -30.92 6.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.29 -38.22 81.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -90.78 12.1 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.62 139.49 30.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 88.93 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' HD12 ' A' ' 69' ' ' LEU . 1.9 mt -97.3 121.59 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.226 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -111.27 142.42 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -157.23 126.57 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 13.0 8.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 3.5 78.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -110.0 151.07 27.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -83.91 137.07 33.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' A' ' 59' ' ' TYR . 41.4 mt -79.06 112.28 16.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -89.49 136.5 32.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 32.0 m-20 -52.1 -21.35 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.27 14.59 60.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -107.63 142.32 37.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 p -99.91 150.4 22.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 23' ' ' ILE . 8.0 mt -62.58 -38.99 92.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -63.22 -37.2 86.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.069 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -14.6 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CE2' HD22 ' A' ' 50' ' ' LEU . 14.8 m-85 -106.14 -9.39 16.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 56.32 56.39 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -78.26 143.33 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.0 155.82 16.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 126.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 12.7 mp0 55.01 53.51 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -75.59 170.35 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.938 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -100.37 110.17 22.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.07 146.27 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.98 103.96 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.579 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 43' ' ' LEU . 1.3 tp -97.98 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.51 0.195 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -88.87 149.44 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -147.12 162.82 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 m-85 -118.87 104.47 10.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 69' ' ' LEU . 2.4 p -93.69 148.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.8 152.61 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -100.11 166.57 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.09 -12.88 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 7.6 t -100.85 7.85 43.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.08 23.83 75.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 35.1 tttp -84.07 152.14 24.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 m -103.36 116.55 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 13' ' ' ILE . 1.8 mp -125.04 117.34 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 4' ' ' PHE . 7.4 m -97.92 143.7 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.1 130.91 29.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -100.92 114.96 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.202 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.7 -178.21 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -106.07 159.22 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.95 21.35 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -89.12 -25.27 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.93 145.55 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 55' ' ' THR . 1.8 p -85.35 169.15 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.381 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.2 mm -59.48 -36.84 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.65 -36.53 84.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -44.44 76.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.87 -42.99 97.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -63.66 -44.4 93.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.88 78.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.59 -45.47 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.33 -31.05 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 23.4 tt0 -65.06 -57.9 7.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -30.09 68.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -73.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.74 -7.25 5.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -78.96 137.32 57.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.27 43.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.35 12.96 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.34 -33.08 73.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.18 7.41 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.82 133.23 36.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -133.98 97.45 3.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.53 124.27 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -105.03 141.42 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -154.43 126.56 7.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 15.85 6.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.8 -7.45 81.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.578 1.174 . . . . 0.0 110.997 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -106.93 149.17 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.364 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -79.04 139.73 38.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 62.4 mt -69.36 116.86 10.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.29 126.74 35.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -47.87 -50.29 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.3 -17.8 33.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -97.19 134.23 40.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.743 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.444 HG22 ' CG2' ' A' ' 22' ' ' THR . 16.8 p -96.86 165.18 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.89 -40.25 94.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -63.06 -43.98 97.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -15.89 59.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.1 m-85 -97.89 -6.87 31.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 55.19 52.45 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 83.6 mt -78.99 146.89 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -97.29 151.09 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 133.46 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 50.87 13.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 61' ' ' ILE . 7.7 p -74.8 158.34 33.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -96.81 107.29 19.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.17 149.48 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.2 110.71 22.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.691 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' CB ' HG21 ' A' ' 5' ' ' VAL . 6.6 tp -95.03 96.62 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.1 t -114.06 158.38 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.55 -174.94 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.12 147.09 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' HG ' ' CG ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -80.05 -72.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' CG ' ' HG ' ' A' ' 73' ' ' LEU . 38.3 mtt180 -86.2 -149.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.73 -94.79 0.31 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' VAL . 23.5 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.438 0.161 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -85.34 151.28 24.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.35 158.93 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.218 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 4.9 m-85 -118.94 98.33 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.35 144.95 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.52 149.93 28.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 m -99.16 165.99 11.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.9 -13.06 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -100.55 9.47 42.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.36 22.31 78.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.07 147.65 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.8 m -103.56 116.38 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -125.24 114.86 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -96.61 142.22 28.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -138.12 133.84 33.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 116.19 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 1' ' ' MET . 33.9 m -138.18 178.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.0 157.65 34.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.9 20.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -89.05 -16.38 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.56 146.49 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 p -85.4 167.76 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' ' 50' ' ' LEU . 15.8 mm -62.85 -29.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.35 -41.08 77.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.36 -44.3 88.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.72 -45.26 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -63.52 -35.37 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.82 93.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.98 -45.22 90.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.73 -33.19 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.9 tt0 -65.2 -54.99 21.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -29.08 69.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CD ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.1 -70.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -62.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.3 -6.8 6.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 81.4 mt -80.03 140.76 53.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.01 158.77 41.99 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.496 1.787 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 -24.64 12.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -35.36 77.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.42 2.07 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.05 133.29 36.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' CB ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -133.96 97.34 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -97.83 123.95 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.395 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.03 139.55 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -151.12 123.84 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 17.58 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.3 -6.55 82.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -104.05 138.94 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.253 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -82.05 135.65 35.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 11.2 mt -71.67 110.28 6.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -88.73 117.72 27.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.41 104.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.58 -14.24 2.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -96.82 145.9 25.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.257 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 p -90.45 151.89 21.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 61' ' ' ILE . 33.4 mt -60.85 -40.79 94.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.21 -34.97 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -20.2 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 42.6 m-85 -98.54 -2.43 38.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 54.97 50.73 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.563 HG12 ' CE2' ' A' ' 45' ' ' PHE . 96.9 mt -78.81 144.49 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.52 152.63 22.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.41 146.23 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 27.3 tt0 54.1 44.75 28.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 p -75.17 151.79 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -102.91 107.85 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.4 mp -109.25 150.56 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -107.12 109.7 21.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.88 103.44 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG12 ' CB ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -113.69 152.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.97 170.67 11.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.13 173.16 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -60.73 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 -153.5 0.29 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.44 -177.69 14.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.8 ptp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.489 0.185 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -90.4 150.4 21.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.448 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.37 159.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 14' ' ' THR . 6.3 m-85 -118.98 101.18 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.64 144.22 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.96 153.96 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.9 p -99.92 164.2 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -6.49 13.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.5 m -98.68 -24.93 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.84 2.94 25.25 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 12' ' ' THR . 7.8 tptm -73.5 147.26 44.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 0.7 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 52.6 m -103.07 124.6 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -125.15 115.11 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 2.7 m -95.83 139.71 31.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.15 134.14 34.21 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -99.06 116.49 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.2 m -135.6 176.38 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -100.81 153.67 37.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.85 21.3 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.1 p -89.32 -22.64 22.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.74 148.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 p -85.53 170.37 12.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 50' ' ' LEU . 6.8 mm -64.31 -27.79 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.31 -45.43 76.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -65.17 -41.58 94.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.67 -46.72 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.88 -39.8 95.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.247 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.05 90.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -44.29 92.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.25 -34.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.386 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.1 tt0 -65.19 -55.97 15.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -26.63 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -73.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.4 -59.74 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.07 -5.73 5.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 5.4 mt -79.0 142.61 60.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.98 159.49 41.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.76 7.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.476 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 66.3 mm-40 -90.83 2.08 56.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 tt0 -93.38 135.41 34.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.61 95.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 69' ' ' LEU . 8.5 mt -97.96 125.8 43.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.33 145.79 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -151.68 123.34 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 20.27 8.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.19 -13.18 67.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.83 132.78 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -78.92 140.34 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 23' ' ' ILE . 7.1 mt -77.6 116.87 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.95 118.62 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.01 104.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.96 -15.82 1.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.1 mmt180 -96.51 145.07 26.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -88.87 144.17 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.29 -40.96 65.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -62.31 -33.77 75.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -20.96 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 50.6 m-85 -97.97 -5.87 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.184 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.73 55.08 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 4.4 mt -79.06 147.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.57 154.73 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 137.43 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 54.84 51.9 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 p -75.06 156.0 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -101.68 104.74 15.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.6 mp -108.9 146.37 33.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 116.36 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.56 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 43' ' ' LEU . 7.2 tp -96.19 120.09 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -114.1 137.3 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD2' ' C ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -87.01 -171.63 3.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 153.71 21.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -66.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -149.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.65 -90.38 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -87.93 149.58 23.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.23 157.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.7 m-85 -118.83 102.3 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 p -88.5 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -107.42 150.25 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.424 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 1.4 m -103.86 160.12 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.95 -20.63 16.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 6.4 t -99.6 24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.41 27.95 58.76 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -83.23 149.11 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.259 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -103.31 116.52 32.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -125.12 113.01 33.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -95.87 140.59 30.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.28 133.98 33.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.31 115.27 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -135.67 -178.32 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 153.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.42 21.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -89.09 -25.33 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -66.08 148.78 51.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -85.49 170.18 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 27' ' ' LYS . 20.1 mm -62.79 -30.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.23 -40.62 86.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -66.23 -46.9 75.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.86 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 10.0 mttt -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.27 95.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -64.08 -45.76 87.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.48 -35.2 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.2 tt0 -65.11 -53.08 50.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -29.23 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -74.84 -73.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -60.91 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.45 -5.23 6.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 3.4 mp -81.42 142.55 50.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 164.19 33.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -31.73 6.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.07 -33.24 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 78.1 mm-40 -91.37 -7.03 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.6 mt-30 -93.04 140.36 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.82 104.36 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 HD12 ' CG ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -97.71 117.32 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -103.76 136.23 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -151.09 127.97 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.28 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.94 51.59 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.576 1.173 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -101.0 136.39 40.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -84.0 142.51 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.4 117.34 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.91 116.78 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -47.17 104.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.96 -14.22 2.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -96.64 156.73 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -96.27 144.31 26.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.29 -36.91 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -63.14 -37.29 86.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.03 -19.53 65.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -97.81 -1.47 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 54.63 56.02 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 45' ' ' PHE . 9.2 mt -82.71 136.0 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -95.86 156.28 16.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 130.64 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 54.87 55.18 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -74.89 169.09 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.12 102.69 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 mp -109.09 145.34 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 121.22 44.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -102.23 97.71 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 5.5 p -114.17 168.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.9 152.97 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.64 171.46 9.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 110.22 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.9 -66.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -90.15 -150.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.19 -103.46 0.9 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -91.24 159.28 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.85 150.77 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CD1' HG22 ' A' ' 14' ' ' THR . 11.9 m-85 -118.94 103.11 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 69' ' ' LEU . 2.5 p -98.03 151.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.93 143.75 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -99.8 168.46 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -53.62 -27.68 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.9 t -99.73 44.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.4 31.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' THR . 8.5 tttt -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -101.56 113.76 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mt -120.33 112.87 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.558 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.9 m -95.82 139.92 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.19 133.97 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -94.7 117.14 29.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 1' ' ' MET . 23.0 m -140.25 -179.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -107.14 154.2 40.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.19 21.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.624 1.855 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -22.55 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.22 150.14 48.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 p -85.22 171.51 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 22.2 mm -63.84 -34.04 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -37.88 84.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -66.27 -47.37 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.79 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.16 -40.75 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.04 95.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -43.69 95.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.66 -34.0 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 41.9 tt0 -65.14 -59.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.95 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -75.41 -74.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.22 -60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.71 -4.13 5.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.4 mt -78.87 140.25 58.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 155.53 43.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -22.13 15.15 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.04 -34.58 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -101.06 7.95 43.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 4.1 tt0 -93.44 131.55 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.96 98.5 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.52 122.03 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -105.22 141.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 4.8 t80 -156.17 124.27 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.49 22.51 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.56 -2.68 86.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -107.94 136.8 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 0.715 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.89 137.41 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 6.2 mt -71.4 114.81 9.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 112.25 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.96 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.63 -15.12 2.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.9 mtt-85 -96.9 158.33 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -93.64 145.66 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.51 -40.31 65.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.0 t -62.33 -31.36 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -17.79 63.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -105.14 3.58 30.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t30 55.14 54.8 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 22.0 mt -84.79 131.77 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.08 159.78 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 129.91 22.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 1.3 mp0 54.82 54.9 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -73.87 167.66 21.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -106.19 100.67 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.2 mp -108.38 150.5 27.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.02 114.24 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CB ' HG21 ' A' ' 5' ' ' VAL . 2.3 tp -94.17 100.88 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.6 t -114.09 154.6 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.93 177.3 7.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.085 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.01 164.49 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -65.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.11 -150.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.0 -106.58 1.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 7.9 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.512 0.196 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -89.9 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.91 163.77 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.0 m-85 -118.62 105.02 11.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.613 1.195 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG21 ' CB ' ' A' ' 69' ' ' LEU . 9.4 p -92.98 148.11 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.35 145.84 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -99.68 160.46 14.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.97 -9.41 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 97.6 m -98.95 9.46 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.14 60.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 17.8 mtmt -73.33 152.6 40.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -103.71 126.6 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.7 mm -125.19 114.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.557 HG22 ' CD1' ' A' ' 4' ' ' PHE . 6.1 m -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -138.08 129.42 27.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.7 pt-20 -98.48 107.3 19.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' ' CA ' ' A' ' 1' ' ' MET . 31.7 m -130.11 -175.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.16 158.82 32.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.33 21.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.08 -23.78 22.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.93 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 145.57 56.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -85.17 170.91 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.459 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 32.6 mm -58.0 -51.38 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -33.78 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.58 -44.34 78.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.65 -46.86 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -64.07 -35.18 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -64.41 -44.36 91.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.6 mt -63.93 -35.37 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 44.5 tt0 -65.36 -54.25 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.36 -30.58 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -79.73 -71.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.54 -63.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.02 -1.31 7.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.89 138.87 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -18.98 18.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.16 -43.68 77.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.97 0.56 57.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.27 133.54 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -134.2 98.22 4.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.09 119.89 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.79 148.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -151.16 127.43 10.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.81 21.67 3.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 -9.58 76.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 132.85 44.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -78.98 134.06 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 14.6 mt -71.97 113.25 8.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.83 115.33 26.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.05 105.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -12.42 2.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.443 1.089 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -96.51 153.17 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -94.02 147.1 23.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 61' ' ' ILE . 24.1 mt -59.52 -37.02 77.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 t -63.08 -38.64 92.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -17.78 63.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -100.58 1.16 40.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.575 1.172 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 54.96 49.26 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 45' ' ' PHE . 45.6 mt -78.84 128.24 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -94.69 156.03 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.07 132.23 23.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 56.84 55.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -75.06 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -106.76 98.34 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 mp -106.37 145.57 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 115.78 30.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CB ' HG21 ' A' ' 5' ' ' VAL . 1.1 tp -98.57 108.64 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.22 152.47 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -178.91 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 171.82 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.08 -65.54 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -156.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.39 113.76 2.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' VAL . 23.4 ptp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -87.31 153.42 21.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.94 154.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.8 m-85 -118.88 97.28 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.38 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -106.96 151.12 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -103.5 168.93 8.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -63.68 -13.16 40.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.9 m -100.58 24.29 9.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.85 18.14 10.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -81.2 152.26 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -103.11 122.29 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.85 112.5 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.571 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.4 m -98.51 139.01 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.132 . . . . 0.0 110.46 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 135.44 35.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -97.4 119.7 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 1' ' ' MET . 20.5 m -139.63 -179.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.22 158.87 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.57 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -89.29 -25.05 21.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.15 142.88 57.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -85.51 173.41 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CG2' ' HE2' ' A' ' 27' ' ' LYS . 11.4 mm -57.77 -62.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -43.75 -35.97 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.316 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -65.99 -45.77 80.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' ILE . 21.9 t -63.42 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HE2' ' CG2' ' A' ' 23' ' ' ILE . 36.5 mtmt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.75 88.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -39.29 93.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.8 -37.18 78.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.3 tt0 -65.22 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.42 -28.76 13.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -75.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -57.81 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.26 32.58 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 8.4 mt -89.81 142.56 29.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 144.38 30.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -28.6 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.23 4.06 41.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.04 129.75 38.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.86 99.89 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mt -97.88 116.04 29.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.63 140.84 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 10.1 t80 -153.91 124.32 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.19 22.23 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.78 -16.08 48.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.04 133.42 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.753 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.09 136.97 36.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 59' ' ' TYR . 4.3 mt -79.28 110.03 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -89.42 134.38 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.11 110.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.77 -18.03 2.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -96.69 148.27 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.14 151.78 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.03 -41.3 97.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -62.32 -36.52 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -20.72 60.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CE2' HD22 ' A' ' 50' ' ' LEU . 33.1 m-85 -101.02 -5.3 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 55.14 58.71 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 3.4 mt -78.94 143.39 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -95.62 156.67 16.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 131.67 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 55.8 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -75.01 158.43 33.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.057 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.04 103.63 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.5 mp -109.1 149.92 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.11 110.53 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CB ' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -99.23 96.5 7.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.0 164.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.63 177.69 8.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 168.05 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.73 -59.9 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.209 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -149.94 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.04 -140.87 4.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 21.5 ptp . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.476 0.179 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -90.13 150.29 22.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -145.77 161.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.9 m-85 -119.06 104.36 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.183 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.06 141.95 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 151.45 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 13' ' ' ILE . 50.1 p -100.49 163.78 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -6.11 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -98.58 -20.87 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.87 1.99 34.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -73.35 141.39 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -101.9 123.41 45.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.423 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 7' ' ' THR . 3.0 mt -125.23 121.06 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 4' ' ' PHE . 3.5 m -95.7 141.39 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.09 130.44 37.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.76 106.96 18.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.5 m -130.15 178.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 160.35 26.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.49 20.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -89.24 -24.02 22.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.23 143.8 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -85.42 160.79 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.9 mm -57.79 -26.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -44.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' ND2' ' NZ ' ' A' ' 29' ' ' LYS . 59.4 t30 -66.0 -41.69 90.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.64 -47.46 91.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.85 86.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.07 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' NZ ' ' ND2' ' A' ' 25' ' ' ASN . 4.3 mtmm -63.78 -47.86 79.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.02 -34.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.0 tt0 -65.35 -52.64 52.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -29.73 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -68.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -63.48 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.42 -6.25 6.28 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 16.8 mt -81.49 141.48 48.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 0.808 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.584 1.834 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.27 8.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' O ' ' CD ' ' A' ' 72' ' ' ARG . 1.1 m-20 -67.41 -32.04 72.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -17.7 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.2 mt-30 -85.95 135.07 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -133.7 102.6 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.5 119.88 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -102.34 145.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -155.52 130.53 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 20.2 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -12.6 65.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.34 145.78 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -81.53 141.79 33.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.35 110.88 12.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ARG . 17.3 mt-10 -89.13 134.55 33.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -49.46 -45.33 46.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.44 -8.03 43.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mmt180 -103.33 139.0 39.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -99.61 160.3 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.087 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 61' ' ' ILE . 5.3 mt -62.19 -37.86 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -62.1 -41.44 98.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.62 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 13.4 m-85 -99.99 -10.45 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 56.77 61.04 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mp -79.42 147.08 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 61' ' ' ILE . 3.1 pt20 -105.21 154.58 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 132.11 24.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 54.9 56.05 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -75.23 168.87 19.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -107.55 99.58 9.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 7.3 mp -100.51 143.75 30.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 111.01 23.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 2.8 tp -94.0 102.77 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.37 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -114.29 161.35 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pp -86.81 155.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -83.68 170.09 14.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.86 -67.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.25 -150.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.51 -153.28 7.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.8 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.536 0.208 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -92.39 149.53 21.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -138.98 160.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 5.4 m-85 -118.78 98.67 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -87.08 144.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -113.55 146.54 39.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -100.06 169.17 9.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 70' ' ' VAL . 15.8 tp -63.82 -13.33 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 t -100.5 28.67 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.62 23.75 6.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -83.15 146.15 28.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.261 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -103.15 117.78 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -125.1 117.06 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 2.8 m -99.39 140.5 33.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.13 136.81 37.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.7 tt0 -101.18 121.12 41.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.3 m -140.0 176.23 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.71 160.78 25.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.08 21.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 t -89.17 -24.09 22.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.053 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.59 143.03 56.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -85.58 169.08 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 27' ' ' LYS . 5.5 mm -64.66 -27.9 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -40.38 81.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.55 -44.41 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.98 -37.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 3.2 mttp -66.05 -48.44 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.375 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.47 74.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -64.62 -47.13 79.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.08 -34.32 67.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 43.5 tt0 -65.25 -55.25 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -31.71 66.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -74.94 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.09 -62.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.66 -2.51 6.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 4.2 mt -78.99 142.77 60.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 152.19 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -28.38 9.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.5 -41.09 80.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 14.34 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 36' ' ' ILE . 11.9 mt-30 -93.6 137.12 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 94.05 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -97.79 121.48 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -107.23 136.71 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.316 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 6.1 t80 -151.52 121.02 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.21 13.46 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.12 -5.09 68.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -108.01 137.92 45.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -84.52 135.75 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 7.2 mt -79.33 103.4 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.392 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 134.05 34.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.71 113.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.78 -23.38 2.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -96.95 136.03 38.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -90.92 156.1 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD23 ' CD1' ' A' ' 61' ' ' ILE . 1.7 mt -61.92 -28.19 69.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -63.09 -52.48 62.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.18 -14.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.506 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 12.5 m-85 -97.42 -14.9 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.84 64.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 mt -86.5 139.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.36 151.67 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -50.47 141.58 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 7.0 mt-10 54.61 47.3 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -75.32 150.83 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -100.3 104.17 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 4.0 mp -109.41 145.59 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -107.21 108.67 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CB ' HG23 ' A' ' 5' ' ' VAL . 2.3 tp -101.28 98.67 9.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 8' ' ' LEU . 9.3 p -114.11 173.86 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.08 -173.09 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -92.9 172.36 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.55 -73.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -27.78 21.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . 155.24 -78.03 0.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.7 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.504 0.193 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -91.13 149.57 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 2.5 pp -144.49 166.34 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.6 m-85 -118.29 104.87 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -93.35 146.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 144.47 33.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.9 163.54 12.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.52 -21.74 10.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.1 t -99.71 39.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.6 28.36 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 4.9 ttpt -83.89 149.39 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -101.06 113.68 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mm -124.28 116.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 4' ' ' PHE . 43.1 m -96.58 148.46 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.05 130.2 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -99.04 104.85 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' CA ' ' A' ' 1' ' ' MET . 33.8 m -130.48 -178.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 158.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -14.21 21.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -25.04 22.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.071 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.12 144.02 56.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.225 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -85.43 173.25 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.0 -33.23 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.57 -37.75 85.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.45 -43.23 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.5 t -63.98 -47.14 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -58.39 -46.73 85.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.72 76.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.1 -45.79 83.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.73 -33.18 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' GLY . 64.1 tt0 -65.3 -63.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.51 -29.8 11.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -77.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -77.18 -59.52 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.78 30.07 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 17.7 mm -89.56 141.66 28.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.578 0.811 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.95 145.59 31.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.781 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -29.78 7.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.96 -34.35 76.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.94 14.4 29.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 2.8 mm-40 -92.5 126.99 37.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -133.71 94.4 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mt -97.21 119.21 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.394 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -100.82 139.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.6 t80 -151.66 122.41 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.85 25.62 12.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.28 -11.65 60.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 130.71 50.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.41 140.68 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 mt -74.51 119.0 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.06 115.28 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.77 104.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.17 -13.89 2.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -96.63 150.47 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -91.22 143.7 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' CD2' ' CD1' ' A' ' 61' ' ' ILE . 7.1 mt -55.3 -34.13 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -63.41 -42.63 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -63.38 -17.87 63.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.73 -1.2 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 54.37 49.09 19.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 45' ' ' PHE . 8.8 mt -80.66 130.0 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.2 154.43 17.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 134.64 20.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.95 54.81 8.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -75.93 168.2 20.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -106.95 95.72 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.7 mp -109.15 147.16 32.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.65 114.54 28.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.078 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' CB ' HG21 ' A' ' 5' ' ' VAL . 5.6 tp -93.88 101.02 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 71' ' ' LEU . 72.1 t -114.25 162.33 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -87.12 146.9 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.96 171.69 9.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 110.243 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.45 -71.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -90.34 -150.32 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.94 -135.15 3.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' VAL . 11.9 ptp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.529 0.204 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -94.77 148.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.08 164.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.7 m-85 -118.85 105.07 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.1 p -94.77 152.16 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.22 148.71 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.5 p -99.88 164.9 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 70' ' ' VAL . 1.6 mt -65.61 -8.8 22.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.2 m -99.36 5.86 46.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.32 0.67 78.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -73.69 149.45 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -103.01 124.93 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mm -125.24 121.32 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.565 HG22 ' CD1' ' A' ' 4' ' ' PHE . 6.0 m -95.76 142.77 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -138.13 128.01 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -96.33 110.11 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 1' ' ' MET . 28.3 m -129.83 -178.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.56 160.51 26.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.05 20.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -89.29 -24.9 21.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.5 143.14 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 p -85.63 176.78 7.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -65.67 -39.51 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.71 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -47.32 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.84 -40.32 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' CE ' ' HG ' ' A' ' 43' ' ' LEU . 73.2 mttt -63.85 -43.48 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.35 -36.1 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' GLY . 59.4 tt0 -65.65 -55.75 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -24.21 55.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -68.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -91.85 -58.03 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.49 33.89 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 35.9 mt -90.32 142.59 28.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 145.5 31.23 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.54 -30.37 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 7.1 mm100 -98.24 8.06 45.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -93.31 128.81 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.59 98.55 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.63 115.35 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 mt -103.37 145.58 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.2 t80 -151.88 108.8 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.93 47.83 21.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.43 42.64 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 117.51 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.64 128.69 34.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 13.9 mt -79.03 112.09 15.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.99 121.55 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -47.42 104.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.64 -15.02 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -96.62 153.38 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 0.72 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -99.11 147.07 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.66 -33.6 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -63.05 -43.11 99.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -18.53 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 10.6 m-85 -97.95 -15.93 19.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.85 66.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.19 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.9 151.08 19.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.14 128.75 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 54.87 53.59 10.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -74.72 167.73 21.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.27 102.62 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -109.06 149.15 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 113.13 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD12 ' CD2' ' A' ' 43' ' ' LEU . 8.5 tp -98.08 95.87 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 8' ' ' LEU . 5.8 p -114.05 176.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 93.2 mt -82.73 145.12 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -92.83 169.78 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.58 -70.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -90.09 -150.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 0.0 110.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.73 -100.15 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.465 0.174 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.402 ' CG ' HG21 ' A' ' 14' ' ' THR . 15.1 tt0 -91.73 152.2 20.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.78 151.67 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.5 m-85 -119.15 100.04 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -91.11 147.33 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -106.61 144.61 33.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.65 166.58 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.408 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.15 -25.49 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 9' ' ' THR . 3.5 m -99.48 43.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.91 30.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 3.4 tttm -82.72 149.48 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 m -103.06 110.49 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.3 mt -119.92 109.81 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 HG22 ' CD1' ' A' ' 4' ' ' PHE . 7.5 m -96.94 142.48 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.33 139.72 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.75 110.62 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 1' ' ' MET . 25.0 m -132.15 177.6 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.2 158.84 32.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -14.21 21.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -25.08 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.13 144.42 57.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -85.31 166.26 16.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.06 -40.07 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.27 -36.82 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.75 -43.02 80.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.75 -45.13 98.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.4 mttt -61.89 -46.99 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.57 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -42.04 88.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.87 -35.22 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -65.45 -60.52 2.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.12 -29.78 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -72.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -88.46 -58.53 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.62 35.72 0.68 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 9.4 mt -89.51 142.61 29.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.88 142.66 28.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.45 1.763 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.89 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -68.31 -37.97 81.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -96.5 14.52 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.379 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 4.0 mm-40 -93.16 123.81 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CB ' HG12 ' A' ' 70' ' ' VAL . 3.7 mtt180 -133.75 97.47 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.67 119.62 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.3 148.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -153.02 116.9 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.89 26.22 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.34 -5.3 84.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.97 123.16 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.29 132.19 35.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -79.21 114.77 18.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -88.92 121.72 31.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 4.6 m-20 -47.35 104.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.55 -16.28 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -96.59 151.35 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.608 0.828 . . . . 0.0 110.356 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 p -94.57 144.58 25.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.51 -37.15 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -63.19 -39.78 95.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.54 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.494 ' CE2' HD22 ' A' ' 50' ' ' LEU . 29.4 m-85 -98.29 -9.03 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t30 59.28 63.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.7 mt -88.97 133.16 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -95.33 156.7 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.47 139.29 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 9.8 mt-10 54.81 50.93 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -74.9 148.31 40.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.42 101.58 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.472 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mp -108.83 146.54 33.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -107.12 116.6 32.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.662 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CB ' HG21 ' A' ' 5' ' ' VAL . 3.1 tp -97.54 97.72 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG12 ' CB ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -114.19 171.13 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.97 157.53 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 174.43 7.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.3 -71.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -90.35 -153.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.03 80.77 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' VAL . 7.3 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.44 0.162 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -87.09 148.77 25.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.17 161.01 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.6 m-85 -118.58 101.59 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 p -90.12 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.86 147.91 29.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.7 p -100.17 159.33 15.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -6.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' CE ' ' A' ' 11' ' ' LYS . 68.8 m -98.63 -3.08 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 -4.06 83.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' CE ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -73.24 149.08 43.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -103.7 125.83 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -125.33 116.8 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 4' ' ' PHE . 7.1 m -95.79 143.52 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' CG1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.26 134.42 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.96 120.08 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 1' ' ' MET . 25.9 m -140.19 -176.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.38 158.8 32.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.85 20.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -23.38 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.75 148.11 51.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 ' CG2' HG22 ' A' ' 55' ' ' THR . 1.7 p -85.7 168.24 14.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 56' ' ' LEU . 21.7 mm -61.61 -35.36 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -36.71 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.22 -43.34 86.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.99 -45.19 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.85 98.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.17 90.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -63.8 -41.66 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mt -64.09 -33.7 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 42.5 tt0 -65.19 -54.97 21.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -29.32 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.64 -74.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -60.7 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.55 -4.54 5.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 5.3 mt -78.63 142.63 61.89 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 152.52 41.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.03 18.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.19 -42.67 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -91.75 4.34 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.7 tt0 -93.17 129.28 39.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -133.8 103.9 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 43' ' ' LEU . 7.6 mt -97.71 126.75 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -108.51 136.54 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CE2' HG12 ' A' ' 61' ' ' ILE . 8.3 t80 -153.54 129.46 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.12 20.37 12.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 -6.57 72.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.113 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -108.59 147.5 31.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 142.49 35.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 48.4 mt -72.12 114.87 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' ARG . 32.0 mt-10 -89.39 125.01 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -47.81 -51.25 23.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.35 -18.31 35.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLU . 26.9 mmt180 -96.71 143.69 27.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 HG22 ' CG2' ' A' ' 22' ' ' THR . 1.6 p -96.62 164.03 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 23' ' ' ILE . 15.6 mt -61.63 -41.84 98.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 t -62.02 -33.79 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -99.61 -4.55 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 54.68 56.9 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG12 ' CE2' ' A' ' 45' ' ' PHE . 6.8 mt -78.79 140.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 61' ' ' ILE . 6.0 mt-30 -94.85 149.17 21.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 134.4 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.0 45.28 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -71.72 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.04 107.05 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -109.23 145.91 35.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 115.1 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.59 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 7.7 tp -97.26 107.03 19.46 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.614 1.196 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -114.19 146.75 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.65 157.64 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.87 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.47 -58.63 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 -90.07 -150.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 110.353 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.28 -145.1 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 21.7 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.07 148.84 21.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -143.28 167.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.79 99.82 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -84.28 144.3 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.91 145.66 31.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.471 HG23 ' CD1' ' A' ' 13' ' ' ILE . 3.0 p -103.2 161.79 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -5.62 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 t -98.37 2.09 47.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 110.337 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.69 -3.52 74.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 7' ' ' THR . 10.2 tttt -73.08 148.43 44.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -103.27 127.87 50.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 7' ' ' THR . 1.2 mp -125.39 119.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.534 HG23 ' CE1' ' A' ' 4' ' ' PHE . 5.9 m -96.42 142.73 28.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' CD1' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -138.04 128.81 26.83 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 107.96 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' CA ' ' A' ' 1' ' ' MET . 21.0 m -132.24 -176.85 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.35 156.2 38.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -13.61 21.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -25.44 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.02 146.18 55.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -85.8 169.67 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.487 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 50' ' ' LEU . 10.9 mm -57.57 -60.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -44.68 -31.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.22 -43.99 60.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.9 t -63.72 -43.35 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -63.85 -43.81 95.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.6 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -65.0 -41.95 94.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.54 -36.2 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.6 tt0 -65.48 -58.59 5.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -26.88 33.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -71.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -89.72 -58.13 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.36 35.93 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 7.7 mt -89.88 142.53 29.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 142.3 27.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -28.81 8.82 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.591 1.837 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -31.03 71.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.72 12.32 37.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -92.83 127.95 38.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 96.68 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.67 117.75 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -107.36 142.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CE2' HG12 ' A' ' 61' ' ' ILE . 3.2 t80 -152.45 123.52 7.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.88 23.51 9.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.96 -13.09 64.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.96 128.54 46.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.805 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -84.67 131.65 34.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -79.24 107.05 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.1 137.74 32.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 106.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.2 -15.45 2.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 4.0 mmt180 -96.56 150.43 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.216 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -98.95 143.01 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.21 -39.99 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 t -63.43 -34.72 78.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -22.35 63.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 56.6 m-85 -100.71 -3.28 30.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 54.54 57.58 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.531 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.8 mt -79.04 140.38 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -95.16 154.08 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 129.88 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 55.16 51.16 13.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -74.1 169.35 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -104.53 104.18 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -108.62 149.84 28.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 111.96 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.574 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CB ' HG21 ' A' ' 5' ' ' VAL . 3.8 tp -99.15 95.32 7.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 71' ' ' LEU . 86.1 t -114.1 166.83 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 2.6 mm? -86.91 -172.13 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -84.78 157.15 21.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -67.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -149.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.367 1.042 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.8 31.44 2.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.079 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 17.5 ptp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.462 0.172 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.3 tt0 -88.13 149.9 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -142.45 162.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.403 1.064 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CE1' HG23 ' A' ' 14' ' ' THR . 6.1 m-85 -118.37 101.06 7.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -90.42 146.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -106.55 148.9 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.413 ' CG2' HD12 ' A' ' 13' ' ' ILE . 65.5 p -103.86 160.27 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.43 -5.76 12.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.6 m -98.64 3.72 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 -7.44 61.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -72.54 148.67 44.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 m -103.28 128.92 50.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.413 HD12 ' CG2' ' A' ' 7' ' ' THR . 92.7 mt -125.16 119.79 56.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.572 HG23 ' CE1' ' A' ' 4' ' ' PHE . 8.6 m -96.28 144.09 26.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 126.12 22.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 48.7 mt-10 -94.32 116.02 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' CA ' ' A' ' 1' ' ' MET . 17.3 m -137.8 -179.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -107.13 161.13 23.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -13.44 21.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 p -89.1 -25.65 21.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.62 143.17 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -85.77 171.05 11.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 33.3 mm -58.42 -42.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.22 -37.37 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -44.87 88.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CD ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -62.92 -41.39 99.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.4 90.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -63.85 -43.62 95.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.8 mt -63.22 -32.98 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.4 tt0 -65.4 -67.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -25.02 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -78.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.19 -54.45 5.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.1 26.53 1.85 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.51 141.64 28.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -75.02 149.11 36.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.82 12.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.382 1.727 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -36.71 80.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -96.22 12.44 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 4.7 mm-40 -92.97 125.81 37.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -133.83 97.31 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.39 119.43 35.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.99 147.89 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -152.76 105.93 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 47.29 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 8.74 51.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -108.03 114.05 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.74 128.09 33.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 6.9 mt -77.58 112.43 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE2' ' NH2' ' A' ' 54' ' ' ARG . 1.8 mp0 -86.13 116.53 24.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -47.39 104.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.79 -14.25 2.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 8.7 mtt180 -96.86 158.5 15.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -99.0 147.17 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -33.02 70.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -62.51 -46.6 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.87 -16.43 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.51 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 10.7 m-85 -98.07 -17.81 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.57 66.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.1 mp -88.8 142.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -94.74 154.08 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.33 124.69 10.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.11 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 55.26 51.01 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -66.73 166.87 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -102.52 100.73 10.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 7.0 mp -109.26 149.23 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 112.73 25.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.641 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CB ' HG21 ' A' ' 5' ' ' VAL . 1.8 tp -95.1 90.45 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 7.1 p -114.05 176.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.0 150.55 23.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -92.93 167.42 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -65.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -90.31 -151.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.49 101.46 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' VAL . 13.3 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -88.56 148.99 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.79 159.88 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' CZ ' HG23 ' A' ' 14' ' ' THR . 7.3 m-85 -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -90.22 141.35 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.69 147.85 29.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -99.79 169.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.18 -12.44 40.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -100.61 12.87 36.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.07 16.98 69.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -76.58 147.88 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.0 m -103.11 119.87 39.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.15 114.03 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.578 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 2.0 m -96.01 137.39 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD2' HG13 ' A' ' 30' ' ' ILE . 11.1 tp -138.6 133.66 32.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.56 117.3 29.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 1' ' ' MET . 10.6 m -137.11 179.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -107.57 159.55 29.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.96 21.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.456 1.766 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -24.66 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.9 143.68 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -85.86 167.44 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 50' ' ' LEU . 18.1 mm -59.78 -33.66 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.42 -34.59 78.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -69.56 -48.14 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.83 -39.02 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.35 93.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -64.15 -45.01 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 15' ' ' LEU . 19.2 mt -63.08 -33.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 tt0 -65.74 -62.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.42 -32.26 17.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -77.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -62.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 120.45 14.98 5.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.088 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.85 144.38 32.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 151.59 39.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.88 10.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.62 -38.49 80.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -90.77 12.49 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -93.59 135.57 34.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 90.2 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.27 118.59 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.0 mt -105.62 140.46 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HG ' ' A' ' 67' ' ' LEU . 6.1 t80 -152.92 123.1 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.55 19.28 9.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.55 -17.67 56.99 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -99.8 130.13 45.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.59 137.68 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.4 mt -79.3 104.72 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.18 135.79 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 28.8 t0 -48.03 111.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.57 -15.78 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 12.2 mmt180 -96.9 146.78 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -99.57 144.59 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' CA ' HD12 ' A' ' 61' ' ' ILE . 9.8 mt -54.42 -39.08 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -63.12 -38.71 92.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.068 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -20.36 63.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 54' ' ' ARG . 14.5 m-85 -99.61 -7.17 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 54.65 57.39 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 7.1 mt -78.99 144.32 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.62 151.85 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -50.18 131.53 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 54.98 53.69 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.9 m -75.46 168.15 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.09 102.08 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 5.2 mp -105.99 146.06 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 43' ' ' LEU . 6.0 tp -98.07 98.97 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.12 164.37 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.65 179.05 6.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -92.9 162.54 14.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.226 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.06 -47.19 53.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -90.23 -150.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 40' ' ' GLN . . . -136.56 -86.46 0.2 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 14' ' ' THR . 18.4 tt0 -85.01 149.53 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.51 163.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD1' HG21 ' A' ' 14' ' ' THR . 5.4 m-85 -118.17 99.01 6.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 11.7 p -85.06 141.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 150.04 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -99.81 162.31 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.93 -4.17 8.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.0 m -98.2 -25.32 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.66 -0.7 26.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -73.23 147.38 44.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.814 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.9 m -103.56 125.57 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mm -125.41 116.5 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG21 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.72 139.68 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -138.03 136.4 36.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' HD11 ' A' ' 15' ' ' LEU . 30.7 tt0 -98.93 119.49 37.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.63 -179.77 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.23 156.32 37.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.66 20.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -89.33 -16.88 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -71.1 148.46 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.9 p -85.52 170.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 16.0 mm -62.69 -41.53 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -33.75 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.298 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.92 -46.21 68.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' A' ' 56' ' ' LEU . 49.1 t -63.81 -41.13 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 43' ' ' LEU . 16.3 mtpt -66.07 -36.72 83.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.72 94.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.85 -49.99 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.76 -32.43 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' GLY . 39.3 tt0 -65.32 -56.95 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -25.81 66.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -75.11 -75.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.14 -56.06 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 124.74 4.34 7.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 89.7 mt -78.69 143.37 62.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 -31.4 6.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.95 -35.82 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 109.367 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 5.0 tp60 -90.82 4.33 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 26.1 mt-30 -93.79 136.12 34.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -133.48 100.53 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 5.1 mt -97.03 117.68 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -106.15 130.73 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 5.2 t80 -151.04 141.76 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 19.87 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.78 -10.73 61.57 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.91 145.53 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -80.94 142.63 33.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 15.1 mt -74.83 121.07 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -88.54 112.82 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -47.16 103.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.01 -14.89 2.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.91 152.63 18.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -91.23 152.1 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' CD1' HG22 ' A' ' 26' ' ' VAL . 16.5 mt -61.36 -36.44 80.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.3 t -63.22 -37.9 89.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.08 -19.07 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -97.92 -3.58 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 45.0 t-20 54.79 53.29 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -82.62 138.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 21.2 mm-40 -98.22 149.65 22.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.9 ttpt -50.59 141.99 11.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 53.84 38.12 27.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.54 172.78 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.058 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -107.57 107.53 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -109.2 142.63 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 114.28 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.681 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 12.8 tp -99.0 100.25 11.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 71' ' ' LEU . 36.2 t -114.24 162.8 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 1.1 pp -87.18 146.23 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -87.8 168.57 12.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -73.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -90.2 -150.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -121.51 2.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.99 149.25 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -144.5 163.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.9 m-85 -118.67 98.6 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 9.3 p -83.75 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -114.06 147.29 38.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -99.91 165.1 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.93 -13.07 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -100.78 20.8 14.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.8 23.93 61.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.565 1.165 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.73 146.32 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -103.62 114.74 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.2 mt -125.08 120.15 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.584 HG22 ' CE1' ' A' ' 4' ' ' PHE . 92.0 m -95.79 149.6 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.52 134.49 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.02 107.42 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 1' ' ' MET . 34.2 m -135.12 -179.78 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -107.28 158.39 33.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.61 21.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 p -89.26 -24.3 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.27 146.69 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.46 175.0 9.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.348 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 50' ' ' LEU . 6.0 mm -67.56 -27.42 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -69.2 -42.9 75.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -44.57 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.85 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -40.53 90.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -64.29 -41.47 96.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' GLU . 45.4 mt -64.74 -37.84 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.4 tt0 -62.74 -59.0 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -26.39 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -78.51 -72.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -69.29 -60.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.16 -4.3 5.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -78.72 142.55 61.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 153.58 41.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.09 -25.86 11.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -69.15 -43.37 74.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.55 13.71 15.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.385 1.053 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' CG ' HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.08 134.47 36.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -133.63 98.29 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 69' ' ' LEU . 7.2 mt -97.32 121.45 39.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.75 136.68 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 7.6 t80 -151.45 124.17 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.42 20.05 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.9 -11.21 69.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -104.35 134.61 47.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 0.758 . . . . 0.0 109.212 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.46 140.86 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 23' ' ' ILE . 10.7 mt -76.21 118.38 18.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -89.08 120.02 30.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.03 103.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.15 -15.79 1.91 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -96.72 149.29 21.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -94.37 151.99 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 61' ' ' ILE . 4.5 mt -57.56 -37.57 73.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.25 -40.96 98.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.96 -20.63 58.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.83 -6.76 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 55.08 57.3 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mt -78.9 148.71 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.0 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -51.12 127.21 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 10.2 pt-20 48.91 48.3 20.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' HG22 ' A' ' 61' ' ' ILE . 20.6 t -64.62 172.82 2.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -105.03 107.06 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.0 mp -109.18 144.61 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -106.92 115.3 29.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.7 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -102.23 106.72 17.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 71' ' ' LEU . 25.9 t -114.36 147.69 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -83.13 152.45 25.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.67 169.48 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -61.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -90.08 -149.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -135.57 -142.5 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.97 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.3 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.546 0.212 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' CG ' HG21 ' A' ' 14' ' ' THR . 17.1 tt0 -92.64 152.83 19.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pp -143.86 161.58 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -118.96 119.66 34.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -108.31 155.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 143.71 44.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.0 p -101.05 173.05 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -15.09 57.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 9' ' ' THR . 6.4 m -98.93 24.86 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.4 20.27 5.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -83.83 151.21 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -102.97 122.26 44.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -124.97 119.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 4' ' ' PHE . 1.9 m -95.9 139.26 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.86 135.47 36.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.93 113.47 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.8 m -129.86 174.48 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.29 159.64 29.39 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.77 21.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -89.26 -19.42 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.99 142.88 45.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -85.49 171.35 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 16.6 mm -58.16 -43.6 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.54 -32.97 70.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -48.48 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.91 -37.26 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 8.2 mttp -66.19 -47.13 74.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.62 74.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -64.93 -44.68 88.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -64.06 -33.4 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.5 tt0 -65.25 -63.09 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -22.42 60.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.39 -74.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -56.69 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.11 0.63 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 14.6 mt -78.28 143.36 64.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.804 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.04 152.23 40.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.92 -26.19 11.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -44.02 73.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.83 20.03 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 1.9 mt-30 -94.08 133.6 37.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 12.2 ttt180 -133.43 89.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -97.22 121.39 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.28 143.06 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -152.79 120.15 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.09 13.58 8.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.21 -4.1 70.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.33 137.41 45.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.33 139.0 36.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 18.2 mt -75.44 115.91 15.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 112.86 24.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.13 104.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.93 -14.43 2.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.3 mtt-85 -96.68 150.84 20.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.5 p -99.06 150.47 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.37 -28.13 69.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 t -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.48 -15.17 24.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.52 -14.28 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 54.9 69.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 17.0 mm -88.02 142.68 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.03 145.8 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -50.67 133.07 26.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 54.55 53.85 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -75.19 166.5 23.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -107.18 100.63 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 mp -109.13 145.17 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.46 110.19 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tp -96.64 93.75 6.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 3.6 p -114.24 165.85 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 168.5 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -93.13 160.79 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -59.85 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -150.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.57 -139.11 4.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.462 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.22 149.46 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -139.06 163.05 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 14' ' ' THR . 9.0 m-85 -118.68 103.0 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 7.8 p -88.87 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.15 145.05 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -100.71 159.64 15.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.46 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -67.32 -3.1 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.3 m -98.1 -9.92 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.95 -6.45 69.5 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.14 149.59 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -103.55 127.58 50.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 29.5 mm -125.44 117.14 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.536 HG22 ' CD1' ' A' ' 4' ' ' PHE . 5.0 m -95.96 142.26 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.35 132.28 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -97.11 113.62 25.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 1' ' ' MET . 33.8 m -132.95 177.45 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 160.95 24.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.64 20.64 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -89.29 -24.24 22.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.54 143.13 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -85.69 173.64 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.3 mm -61.78 -36.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.3 pt-20 -63.69 -37.86 88.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 t-20 -67.35 -44.3 79.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.0 -43.09 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -63.88 -42.06 97.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.1 88.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -42.41 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.16 -33.96 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.0 tt0 -65.48 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.22 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.89 -27.4 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -74.8 -78.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -56.88 4.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.03 28.93 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 13.8 mt -89.72 142.47 29.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.97 145.65 31.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -26.2 11.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -68.19 -42.63 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -91.12 14.9 12.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 4.7 mm-40 -93.14 124.62 37.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -133.47 97.58 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.4 120.6 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.82 141.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -154.48 126.4 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.6 17.92 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.54 -12.23 70.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -103.68 137.11 42.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.6 141.72 31.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.197 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 14.2 mt -75.85 119.96 20.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.06 115.56 26.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -47.27 103.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.46 -14.83 2.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -96.84 146.7 24.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.5 p -90.27 149.72 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.91 -28.77 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -62.44 -50.85 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.39 -13.22 37.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -97.84 -13.62 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 54.95 60.38 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 9.6 mm -78.91 146.39 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.88 145.54 24.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.43 125.19 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 54.8 49.28 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -72.09 172.51 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -107.11 107.91 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 67' ' ' LEU . 4.7 mp -108.76 149.79 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -107.16 110.59 22.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.615 1.197 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 5.9 tp -94.63 98.88 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.35 159.65 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -87.08 150.76 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.16 169.83 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -90.19 -151.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.61 -120.39 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.2 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.418 0.151 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -95.12 152.07 18.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.59 157.5 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' HG22 ' A' ' 14' ' ' THR . 7.0 m-85 -120.22 105.9 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 69' ' ' LEU . 5.2 p -95.62 152.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.379 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -107.9 148.57 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.5 p -105.77 167.17 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -15.71 58.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 9' ' ' THR . 2.9 m -99.21 24.64 7.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.78 18.23 7.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.07 150.9 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -99.71 124.34 44.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.9 mm -125.23 113.96 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 4' ' ' PHE . 3.4 m -95.92 140.12 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.26 134.22 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -100.89 109.82 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 1' ' ' MET . 5.6 m -130.01 178.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -107.35 160.33 26.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.71 21.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -24.7 22.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.79 145.31 54.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.1 p -85.71 173.0 10.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CD1' HD12 ' A' ' 50' ' ' LEU . 5.4 mm -62.54 -37.75 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -37.13 85.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -45.9 74.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.3 t -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' CG2' ' A' ' 23' ' ' ILE . 1.7 mtpt -66.09 -42.75 88.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.37 81.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.55 -45.97 81.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' GLU . 20.6 mt -63.39 -35.72 73.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.3 tt0 -65.29 -58.44 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -32.51 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -76.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.95 -61.57 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.09 10.29 6.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 9.1 mt -87.61 142.79 33.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 158.18 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.95 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.432 1.754 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -68.94 -38.68 79.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.99 5.64 49.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' NE2' HG23 ' A' ' 30' ' ' ILE . 1.8 tt0 -93.45 128.08 39.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -134.05 100.56 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mt -97.76 121.39 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 mm -109.18 142.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t80 -151.62 117.79 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.76 33.54 23.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.46 0.98 59.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -101.19 124.56 47.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.02 125.19 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 59' ' ' TYR . 8.0 mt -79.58 103.04 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 135.46 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.349 1.03 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.12 108.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.86 -17.73 2.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -96.7 142.95 28.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 p -98.88 153.55 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 61' ' ' ILE . 3.7 mt -61.22 -28.24 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -63.14 -54.67 34.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.923 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.1 -17.34 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.5 m-85 -97.58 -15.81 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 54.86 66.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.455 HD12 ' CD2' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -83.69 144.2 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 61' ' ' ILE . 2.9 mm-40 -95.23 152.48 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 127.98 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 54.88 49.74 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -67.81 168.13 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.36 98.36 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 mp -104.69 149.91 25.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.07 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CB ' HG21 ' A' ' 5' ' ' VAL . 11.2 tp -97.97 90.13 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 71' ' ' LEU . 92.6 t -104.72 164.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 mt -86.56 161.19 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -92.65 151.66 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.16 -66.86 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -150.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.7 -105.69 0.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.989 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.0 ptp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -87.66 149.79 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -142.97 161.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.2 m-85 -118.67 103.79 10.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 69' ' ' LEU . 7.6 p -92.48 147.21 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -108.58 155.12 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -99.98 164.53 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.62 -11.39 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 15.0 t -99.97 -10.95 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.05 13.09 43.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 7.9 mtpt -75.06 151.09 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 m -103.39 117.87 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -125.07 113.4 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 4' ' ' PHE . 13.9 m -95.74 143.4 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.64 134.55 33.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -99.24 119.67 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 1' ' ' MET . 14.8 m -140.11 178.59 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -107.4 161.34 23.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -15.82 20.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.29 -24.59 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.24 143.91 56.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -85.38 171.93 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 27.7 mm -59.46 -49.57 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -54.62 -36.72 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -65.64 -44.33 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.71 -44.57 98.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -41.04 99.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.07 88.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -64.45 -43.9 92.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 21.1 mt -63.76 -34.91 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLY . 34.9 tt0 -65.09 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -31.1 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -77.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.71 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.52 -0.54 6.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 20.0 mt -78.8 143.02 61.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 152.45 40.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -18.28 18.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.47 -42.12 79.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -91.46 0.79 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -93.21 126.0 38.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.84 103.83 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -97.55 122.89 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -104.54 144.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.2 t80 -152.5 130.17 11.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.17 16.82 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 -12.8 68.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.31 136.69 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.774 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -79.17 140.93 37.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 13.4 mt -75.92 117.13 17.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.28 114.63 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.19 104.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.68 -15.94 2.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -96.81 155.88 16.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 p -99.28 148.02 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.27 -31.91 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.7 t -63.19 -41.92 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.041 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -18.51 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -98.3 -10.03 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 55.45 59.87 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG12 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -82.05 142.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.75 153.51 17.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.47 130.01 23.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.6 mp0 54.91 53.3 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -72.1 170.96 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.42 104.61 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.2 mp -108.94 146.2 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -107.11 114.73 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.438 ' CB ' HG21 ' A' ' 5' ' ' VAL . 8.4 tp -94.95 104.05 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -114.2 164.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.86 -172.56 4.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -91.68 151.28 20.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.94 -55.05 5.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptt85 -91.0 111.62 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.39 135.41 3.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.504 0.192 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.92 149.08 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.9 157.44 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' HG22 ' A' ' 14' ' ' THR . 6.3 m-85 -118.71 99.41 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 10.2 p -88.88 143.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 150.88 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 13' ' ' ILE . 47.1 p -99.95 164.06 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.34 -6.21 13.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -98.52 -21.47 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.93 3.66 34.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -73.55 146.67 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -103.13 121.47 42.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 7' ' ' THR . 26.8 mt -125.26 117.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 4' ' ' PHE . 22.4 m -95.67 146.22 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' CD1' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -138.27 136.47 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -100.95 112.3 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 1' ' ' MET . 22.8 m -135.11 -177.68 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.2 158.17 33.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -14.97 20.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.36 -24.13 22.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.933 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 146.47 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.5 p -85.71 169.52 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.9 mm -62.68 -32.67 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.24 -38.74 85.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -47.87 72.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 56' ' ' LEU . 93.1 t -64.0 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' CD ' ' OE1' ' A' ' 41' ' ' GLN . 9.1 mtmt -65.17 -40.84 94.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.2 96.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.34 97.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.99 -35.88 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 tt0 -64.91 -52.42 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -31.06 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.12 -72.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' CD ' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.21 -61.29 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.88 -6.27 6.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 3.0 mp -79.7 142.65 57.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.09 154.24 41.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -23.22 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.66 -44.39 74.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.9 19.42 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 8.0 mt-30 -93.43 138.65 31.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.71 84.51 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -97.13 124.12 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -109.67 144.41 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t80 -159.41 125.32 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.37 20.72 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.74 -7.22 77.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.56 146.05 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -79.03 142.16 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 19.1 mt -68.92 110.85 4.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -89.2 126.09 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -51.49 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -19.03 26.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -97.0 141.21 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 p -98.01 167.69 10.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 26' ' ' VAL . 14.3 mt -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 t -61.79 -37.11 83.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -19.94 64.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -98.72 -5.89 30.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.3 t30 56.95 54.5 6.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 45' ' ' PHE . 11.8 mt -80.87 139.61 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -94.89 156.88 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 130.57 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mp0 54.48 54.67 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.467 ' CB ' HG22 ' A' ' 61' ' ' ILE . 7.8 m -75.23 166.83 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -103.44 105.93 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 4.0 mp -109.07 145.54 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -107.06 109.26 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.636 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 5.7 tp -94.03 112.21 24.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 t -114.42 136.51 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -164.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' NE ' ' O ' ' A' ' 74' ' ' ARG . 1.2 ptm180 -88.97 177.76 6.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 6.2 mmt180 -91.29 109.05 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.34 167.5 37.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 3' ' ' ILE . 26.5 tt0 -92.1 146.64 23.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -137.35 160.63 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 14' ' ' THR . 5.9 m-85 -120.82 108.93 14.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.8 147.69 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -108.44 157.35 18.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -99.86 166.22 11.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -64.95 -10.75 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 14.8 t -99.9 -22.13 15.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 11.49 17.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 14.9 mttt -73.81 147.72 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -103.39 119.51 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -125.07 115.76 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 7.5 m -95.77 143.01 27.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.26 138.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.21 118.47 37.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 1' ' ' MET . 22.8 m -140.32 176.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -107.28 161.67 22.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.09 21.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -89.24 -25.43 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.46 143.35 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.5 p -85.58 170.15 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 11.2 mm -58.6 -40.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -36.86 81.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.205 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.71 -45.28 83.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.7 -44.96 98.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -42.04 98.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.7 88.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -63.9 -41.0 97.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.4 -35.57 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.8 tt0 -64.42 -59.39 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -26.81 63.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -75.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -68.53 -59.26 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.76 -3.74 5.36 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.502 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 7.8 mt -78.41 143.57 64.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.425 0.72 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.03 152.21 40.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.393 1.733 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.98 -18.14 19.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.87 -43.95 74.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.02 17.73 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 110.23 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 38' ' ' PRO . 12.7 mt-30 -93.77 131.36 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -133.9 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 69' ' ' LEU . 4.8 mt -96.62 120.66 37.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.37 141.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' A' ' 61' ' ' ILE . 1.1 t80 -151.76 118.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.63 23.08 12.87 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.48 -0.89 88.49 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -108.52 134.8 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 132.34 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 59' ' ' TYR . 11.6 mt -70.3 113.51 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 118.24 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 -14.65 2.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -96.43 144.23 26.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -93.43 143.76 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.16 -35.4 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.361 1.038 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -62.88 -48.0 80.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 -12.92 42.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 1.2 m-85 -97.91 -16.07 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 65.02 59.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.591 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 15.7 mm -81.94 140.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -96.82 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.85 129.22 22.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.7 mp0 54.52 55.19 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.234 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 p -70.82 156.79 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.967 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.7 mp -109.28 146.57 34.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -106.75 113.38 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 43' ' ' LEU . 4.4 tp -94.45 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 8' ' ' LEU . 83.3 t -114.27 159.62 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 -168.8 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -89.49 170.08 10.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -52.12 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -167.66 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.66 -100.68 2.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.924 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.8 ptp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -89.48 150.36 22.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.441 ' CD1' ' C ' ' A' ' 3' ' ' ILE . 1.6 pp -140.81 156.86 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 14' ' ' THR . 6.6 m-85 -119.26 108.1 14.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -97.8 150.79 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.8 148.53 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 p -101.35 162.98 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -66.32 -6.65 14.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 m -98.51 -5.67 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.09 81.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.05 148.69 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -103.59 130.5 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.0 mt -125.37 123.51 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 2.3 m -98.59 138.89 35.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.38 135.14 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -100.45 119.11 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 1' ' ' MET . 35.5 m -136.68 179.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.3 156.82 36.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.97 21.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -25.02 21.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.44 146.56 54.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -85.43 171.69 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 50' ' ' LEU . 22.2 mm -57.93 -53.47 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.94 -36.93 50.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -44.34 90.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.54 -44.95 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -37.04 85.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.85 98.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -63.68 -46.94 83.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' OE1' ' A' ' 34' ' ' GLU . 25.2 mt -63.14 -32.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 33.0 tt0 -65.37 -63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -27.82 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -78.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' OE1' ' CG2' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -68.98 -58.1 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.48 19.09 3.54 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 13.9 mt -89.24 142.97 30.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.217 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.03 148.23 34.89 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.514 1.797 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.11 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -68.75 -39.4 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.235 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -93.77 6.79 47.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.32 130.53 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -133.93 100.6 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.86 120.72 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -104.51 142.05 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.4 t80 -154.5 125.32 7.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.91 17.41 7.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -4.37 82.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.96 137.99 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.216 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.73 136.41 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 23' ' ' ILE . 21.0 mt -71.56 116.05 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.04 114.5 25.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -47.06 105.68 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.82 -12.47 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.51 154.8 17.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -97.18 144.39 27.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.03 -36.35 72.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -61.81 -45.85 92.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -14.06 50.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -98.68 -11.95 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.92 61.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 45' ' ' PHE . 5.9 mm -87.9 135.95 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -96.05 153.45 17.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 130.75 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.73 55.13 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 m -74.08 168.25 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -106.75 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -105.21 148.02 27.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -107.37 112.16 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 41' ' ' GLN . 8.3 tp -95.11 97.73 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 8' ' ' LEU . 74.8 t -114.3 161.68 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.0 mp -86.65 167.63 14.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.97 176.87 6.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.91 -77.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.04 -93.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.76 -83.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.978 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -89.28 149.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.74 167.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.513 ' CD1' HG22 ' A' ' 14' ' ' THR . 4.9 m-85 -117.67 99.24 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 69' ' ' LEU . 2.1 p -89.37 147.06 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.82 156.93 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.92 162.33 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.23 -6.53 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -98.45 -14.94 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 1.16 55.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.67 42.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -103.17 121.74 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.36 120.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.513 HG22 ' CD1' ' A' ' 4' ' ' PHE . 14.3 m -97.05 145.25 26.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -136.26 130.71 33.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.38 107.58 19.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.24 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.506 ' O ' ' CA ' ' A' ' 1' ' ' MET . 15.1 m -129.83 -178.56 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -107.39 160.03 28.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -13.64 21.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.567 1.825 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.37 -22.7 22.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 109.986 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 144.39 54.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -85.66 170.2 12.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 23.1 mm -58.04 -47.18 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.9 -39.99 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.09 -42.34 99.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -63.73 -48.82 84.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -59.67 -40.85 89.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.81 -40.31 96.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.8 -36.53 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.1 tt0 -65.44 -60.51 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -30.76 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 10.3 tttt -75.01 -74.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.17 -59.71 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.37 34.43 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 6.0 mt -89.66 142.62 29.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.01 143.03 28.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.84 11.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.33 -33.5 74.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.12 14.47 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 3.3 mm-40 -93.18 124.95 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.58 97.26 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD1' ' HD2' ' A' ' 27' ' ' LYS . 7.6 mt -97.17 120.28 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.93 142.04 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -154.74 130.76 10.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.76 20.86 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.369 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -11.29 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -103.51 139.01 39.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 0.701 . . . . 0.0 109.325 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -82.7 140.35 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 10.7 mt -73.65 121.46 20.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.73 111.73 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 p-10 -47.1 102.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.21 -16.27 1.9 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -96.83 156.64 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.99 146.06 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' CA ' HD12 ' A' ' 61' ' ' ILE . 4.0 mt -52.35 -31.92 35.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -17.08 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CB ' HD11 ' A' ' 61' ' ' ILE . 36.6 m-85 -99.0 -8.63 25.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.68 50.89 14.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -79.57 140.77 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.81 149.48 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -50.93 141.53 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.34 46.38 26.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 171.63 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.69 104.35 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.9 mp -109.43 143.31 39.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.47 112.0 24.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.626 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CB ' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -95.46 101.33 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 71' ' ' LEU . 91.8 t -114.34 165.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 4.9 mt -86.3 151.04 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -84.6 169.65 14.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.354 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.01 -70.92 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -90.24 -150.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.61 109.04 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.947 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.489 0.185 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 37.6 tt0 -92.95 149.55 21.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.466 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.86 171.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 14' ' ' THR . 5.6 m-85 -118.74 101.63 8.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.02 139.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.72 28.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -99.88 169.38 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.25 -12.32 40.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 1.1 t -100.63 15.49 27.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.03 63.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 8.3 tttt -74.46 145.94 43.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -103.12 114.2 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.92 118.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 4' ' ' PHE . 17.0 m -96.01 145.3 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -138.21 130.42 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -97.61 108.06 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' O ' ' CA ' ' A' ' 1' ' ' MET . 20.2 m -130.94 -178.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.26 159.27 30.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -15.16 21.1 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -23.33 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.8 146.72 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -85.53 171.72 11.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 50' ' ' LEU . 17.6 mm -60.98 -44.17 97.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -31.59 71.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.53 -49.45 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.73 -38.61 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.206 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' HD12 ' A' ' 43' ' ' LEU . 3.7 mtmp? -66.38 -41.77 88.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.95 91.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.92 -45.31 89.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' GLU . 17.7 mt -63.99 -35.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.2 tt0 -65.36 -58.26 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -54.5 -31.61 56.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -75.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ILE . 12.2 mm-40 -62.71 -63.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.36 -1.05 6.54 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.2 mt -78.72 136.82 58.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.78 42.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -13.61 21.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.43 -50.04 49.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CB ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -91.0 22.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.245 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' OE1' ' CD2' ' A' ' 43' ' ' LEU . 5.1 mm-40 -93.6 128.03 39.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -133.72 92.91 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.479 ' CD2' ' OE1' ' A' ' 41' ' ' GLN . 7.3 mt -97.18 117.64 31.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.7 140.2 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -151.5 129.23 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.908 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 23.87 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.206 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 -4.41 83.42 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -106.46 133.65 50.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.46 138.42 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 23' ' ' ILE . 6.6 mt -78.44 115.34 18.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.09 120.62 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -48.1 105.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.61 -13.46 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -96.7 156.12 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 p -98.52 151.58 20.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.06 -38.68 87.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -63.52 -37.03 85.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.18 -19.43 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -98.37 -2.89 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 54.72 50.02 16.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.379 1.049 . . . . 0.0 109.357 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 63.8 mt -83.02 138.22 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -95.93 153.22 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.4 142.54 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.7 mt-10 53.67 46.11 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 171.17 14.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.47 103.37 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.22 139.6 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.52 107.64 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.92 101.48 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 71' ' ' LEU . 69.8 t -114.18 166.68 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' N ' HG12 ' A' ' 70' ' ' VAL . 4.8 mp -86.57 -171.73 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 18.2 ptt180 -89.75 156.34 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 -73.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -150.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.07 83.15 0.31 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 14.4 ptp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.479 0.181 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 34.0 tt0 -90.97 149.08 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -141.85 167.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.2 m-85 -118.83 102.2 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.21 139.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -106.97 146.04 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 m -99.9 170.53 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 tp -63.77 -13.17 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 m -100.67 28.51 5.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.58 4.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -82.07 147.89 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 m -103.17 118.8 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mp -125.14 115.13 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 4' ' ' PHE . 2.5 m -95.74 140.02 31.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -137.93 128.92 27.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.17 120.35 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.482 ' O ' ' CA ' ' A' ' 1' ' ' MET . 17.9 m -140.13 178.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.07 161.62 22.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -15.02 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -24.33 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.81 144.43 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.2 p -85.58 170.75 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' ARG . 8.3 mm -62.57 -42.23 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -35.12 76.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.6 73.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.85 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -65.37 -42.08 93.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.8 85.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -63.85 -47.85 79.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.01 -32.76 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.2 tt0 -65.24 -55.47 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -30.53 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -74.86 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.15 -61.68 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.42 -2.37 6.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 22.4 mt -78.75 143.31 62.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.92 154.88 43.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.41 13.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -68.36 -32.23 72.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -99.29 13.74 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 17.9 mt-30 -93.56 134.56 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 2.6 ttm-85 -133.74 93.47 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 69' ' ' LEU . 3.6 mt -97.05 120.0 36.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -107.77 141.09 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -151.0 114.65 4.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 42.81 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.47 9.36 43.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 123.75 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -78.97 130.84 35.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -75.08 113.5 12.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 1.8 mp0 -89.09 113.78 24.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -46.93 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.08 -13.64 2.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ILE . 4.3 mpt_? -96.72 154.78 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -97.18 144.75 26.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mt -55.5 -34.92 65.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 t -63.11 -41.14 99.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.28 61.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 8.2 m-85 -99.71 -15.63 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 65.02 64.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 59' ' ' TYR . 1.2 mp -88.99 140.01 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -95.85 156.69 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.18 130.24 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 54.44 54.32 9.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -72.81 169.36 16.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.16 103.2 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.11 143.29 38.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.89 105.82 16.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.638 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 43' ' ' LEU . 8.8 tp -94.65 95.86 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 4.1 p -114.31 173.15 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 71' ' ' LEU . 4.3 mm? -83.05 172.54 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -83.05 169.0 16.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -60.08 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.43 -158.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ARG . . . 37.05 88.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.996 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' VAL . 8.5 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.177 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -89.18 149.26 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -139.03 161.69 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 14' ' ' THR . 7.5 m-85 -118.85 102.41 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.436 HG21 ' CB ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -89.8 148.47 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.72 153.01 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.412 ' OG1' ' CD1' ' A' ' 13' ' ' ILE . 2.6 m -100.93 167.53 10.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.608 1.192 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 2.1 pp -64.23 -17.24 63.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -98.77 6.03 47.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 24.04 66.92 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -82.15 154.94 25.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -103.74 118.04 35.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.374 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 ' CD1' ' OG1' ' A' ' 7' ' ' THR . 2.7 mp -125.29 111.14 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.562 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -95.74 139.36 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -138.25 134.58 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -96.17 111.92 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 1' ' ' MET . 35.3 m -129.84 176.82 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -107.48 161.33 23.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -14.1 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.761 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -89.46 -25.14 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.77 141.69 57.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.4 p -86.04 175.12 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -60.04 -47.93 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 1.8 pt-20 -56.71 -29.88 62.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -71.47 -46.96 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.05 -37.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.228 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -66.15 -49.94 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -66.97 -45.38 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.37 -34.21 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLY . 28.5 tt0 -65.65 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -28.74 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -79.9 -58.49 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.38 32.7 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 27.6 mm -90.0 143.04 29.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.02 147.37 33.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -31.71 5.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -37.73 79.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.422 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -91.39 8.51 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 132.29 38.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.85 99.15 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 6.5 mt -97.78 118.06 33.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.83 142.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 t80 -150.97 113.43 4.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.87 40.72 32.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 6.17 52.43 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -104.45 122.92 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.08 126.04 30.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 16.2 mt -73.17 112.61 9.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.08 116.19 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -47.17 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.87 -10.88 3.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -96.42 153.9 17.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.74 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 p -98.67 141.95 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.36 -34.75 66.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -62.8 -41.65 99.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -17.75 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -98.5 -13.73 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.24 64.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.507 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mt -88.58 140.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.59 152.41 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.39 131.01 24.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.85 55.36 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -75.52 171.03 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.23 100.75 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.6 mp -108.19 147.0 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.45 115.86 30.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CB ' HG21 ' A' ' 5' ' ' VAL . 5.2 tp -101.46 94.24 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -114.08 168.71 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.35 151.81 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -83.31 166.9 18.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -66.83 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -150.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.21 -108.11 1.25 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 9.1 ptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.538 0.208 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.59 154.3 20.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.46 164.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.79 101.87 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -91.19 145.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.98 24.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.9 p -99.74 166.59 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CG ' HG21 ' A' ' 70' ' ' VAL . 2.6 mt -65.35 -8.7 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -99.36 -5.96 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.53 7.27 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -73.7 150.52 41.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 m -102.88 120.96 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.09 118.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CE1' ' A' ' 4' ' ' PHE . 5.5 m -95.89 141.35 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.42 134.87 34.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -99.19 119.81 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' CA ' ' A' ' 1' ' ' MET . 27.8 m -140.08 177.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.33 160.85 25.04 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.94 21.24 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.604 1.844 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -89.29 -25.29 21.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.7 144.16 57.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -85.49 171.28 11.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 4.8 mm -61.18 -39.3 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -35.73 81.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -66.63 -47.27 73.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.84 -41.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -61.96 -48.54 79.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.16 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.15 -41.94 96.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.82 -38.03 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.3 tt0 -65.38 -58.84 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 -31.03 14.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -72.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.74 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.64 19.84 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 6.4 mt -89.18 143.14 30.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.95 154.51 42.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.52 10.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -38.31 79.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -91.14 4.33 52.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 69' ' ' LEU . 1.8 tt0 -93.35 127.99 39.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.55 105.71 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 43' ' ' LEU . 6.7 mt -97.66 122.49 40.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -107.81 132.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.0 129.52 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.3 20.27 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.24 50.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.32 140.87 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -82.06 142.85 31.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' A' ' 59' ' ' TYR . 13.3 mt -76.48 122.15 24.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.18 114.36 23.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -46.83 104.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.11 -13.32 2.82 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 145.12 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 144.52 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.79 -31.91 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.8 t -62.97 -46.92 85.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.072 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -15.54 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CE2' HD22 ' A' ' 50' ' ' LEU . 3.6 m-85 -98.57 -12.37 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 57.11 65.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.87 145.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.76 153.87 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 125.33 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 54.65 53.28 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -69.82 166.6 19.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -101.68 103.51 14.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.7 mp -109.11 144.0 37.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -107.1 116.7 32.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 0.0 109.644 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 41' ' ' GLN . 10.8 tp -100.0 95.49 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 8' ' ' LEU . 8.8 p -112.42 173.8 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.02 160.66 25.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -91.29 10.34 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.619 1.199 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.15 -70.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -150.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.58 -111.67 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.993 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.9 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.45 0.167 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.75 147.9 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.71 162.16 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 14' ' ' THR . 6.0 m-85 -118.98 110.44 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -102.33 139.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -107.49 145.24 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -99.79 173.25 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.22 -9.59 24.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.9 m -99.18 22.04 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.17 8.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.2 146.99 27.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -103.28 121.99 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.08 118.93 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 8.4 m -95.65 143.66 26.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -138.1 125.47 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.68 114.92 26.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 29.8 m -138.8 -175.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.25 159.26 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.62 21.37 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -89.21 -24.44 22.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.06 144.07 56.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -85.65 171.42 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 40.1 mm -57.73 -57.0 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -36.61 14.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -44.31 87.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.19 -49.07 84.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.91 82.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.41 95.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.64 -41.43 98.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.74 -35.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.1 tt0 -65.32 -63.07 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -29.28 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 1.1 mtpt -75.93 -76.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.98 -58.22 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.7 21.46 2.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 41' ' ' GLN . 9.0 mt -89.3 138.14 28.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 151.61 40.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -31.2 6.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -68.27 -24.96 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -93.5 -41.48 9.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 pt20 -82.76 137.51 34.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.68 113.97 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -99.44 121.6 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.16 153.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -158.25 130.21 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 20.39 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.05 -6.69 80.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.74 137.05 44.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 0.817 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -79.16 135.56 36.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 59' ' ' TYR . 27.6 mt -68.98 114.99 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -89.1 115.79 26.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.228 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -47.22 105.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.08 -12.67 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.45 154.66 17.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 0.795 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -98.99 144.11 28.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 61' ' ' ILE . 12.6 mt -53.15 -36.57 61.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 t -63.05 -41.89 99.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.4 58.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.9 m-85 -98.19 -8.53 27.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.6 59.68 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.2 mt -81.37 138.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -98.23 158.65 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -50.53 132.73 25.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 54.49 55.25 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p -74.64 151.73 39.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -97.23 109.92 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mp -109.17 146.99 33.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 110.33 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 41' ' ' GLN . 2.5 tp -98.8 103.74 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -113.24 174.84 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.93 159.92 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.62 169.59 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.94 -73.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 104.64 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.68 142.38 5.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.988 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptp . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -86.47 150.76 24.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.53 161.34 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.57 ' CD1' HG22 ' A' ' 14' ' ' THR . 8.7 m-85 -118.94 98.88 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.27 137.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.03 145.45 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -99.84 169.89 8.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.07 -12.83 42.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m -100.7 28.76 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.03 23.13 5.25 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -83.16 145.8 29.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 0.81 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -103.4 118.63 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 84.9 mt -124.9 117.16 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.6 m -96.18 138.83 33.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.491 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 30' ' ' ILE . 9.4 tp -138.35 134.93 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.393 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -97.46 118.29 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.71 -178.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.49 158.87 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.35 21.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -89.31 -23.66 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.088 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.96 142.89 54.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.2 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.5 p -85.97 167.1 15.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.479 HG21 ' CD ' ' A' ' 27' ' ' LYS . 19.3 mm -57.78 -28.71 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 1.7 tt0 -67.37 -41.11 85.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.92 -46.42 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.0 t -64.01 -41.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' HG21 ' A' ' 23' ' ' ILE . 33.2 mtpt -62.53 -45.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.59 78.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 15' ' ' LEU . 21.7 mt -63.29 -34.89 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.2 tt0 -65.66 -60.94 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -32.14 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.387 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -74.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' OE2' ' CD1' ' A' ' 13' ' ' ILE . 3.1 mt-10 -66.23 -63.65 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 126.47 4.5 6.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 9.5 mt -78.4 143.06 63.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -30.92 6.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.29 -38.22 81.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -90.78 12.1 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.62 139.49 30.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 88.93 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' HD12 ' A' ' 69' ' ' LEU . 1.9 mt -97.3 121.59 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.226 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -111.27 142.42 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -157.23 126.57 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 13.0 8.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 3.5 78.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -110.0 151.07 27.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -83.91 137.07 33.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' A' ' 59' ' ' TYR . 41.4 mt -79.06 112.28 16.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -89.49 136.5 32.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 32.0 m-20 -52.1 -21.35 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.27 14.59 60.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -107.63 142.32 37.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 p -99.91 150.4 22.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 23' ' ' ILE . 8.0 mt -62.58 -38.99 92.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -63.22 -37.2 86.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.069 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -14.6 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CE2' HD22 ' A' ' 50' ' ' LEU . 14.8 m-85 -106.14 -9.39 16.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 56.32 56.39 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -78.26 143.33 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.0 155.82 16.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 126.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 12.7 mp0 55.01 53.51 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -75.59 170.35 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.938 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -100.37 110.17 22.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.07 146.27 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.98 103.96 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.579 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 43' ' ' LEU . 1.3 tp -97.98 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.3 160.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 71' ' ' LEU . 4.0 mm? -83.44 154.33 24.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -90.71 151.22 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -49.56 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.11 -151.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.32 -64.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.51 0.195 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -88.87 149.44 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -147.12 162.82 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -118.87 104.47 10.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 69' ' ' LEU . 2.4 p -93.69 148.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.8 152.61 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -100.11 166.57 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 70' ' ' VAL . 14.3 tp -64.09 -12.88 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 7.6 t -100.85 7.85 43.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.08 23.83 75.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 35.1 tttp -84.07 152.14 24.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.876 ' C ' HD12 ' A' ' 13' ' ' ILE . 19.3 m -103.36 116.55 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.876 HD12 ' C ' ' A' ' 12' ' ' THR . 1.8 mp -125.04 117.34 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.4 m -97.92 143.7 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.1 130.91 29.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -100.92 114.96 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.202 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -135.7 -178.21 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -106.07 159.22 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.95 21.35 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -89.12 -25.27 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.93 145.55 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 p -85.35 169.15 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.381 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.2 mm -59.48 -36.84 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.65 -36.53 84.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -44.44 76.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' THR . 13.0 t -63.87 -42.99 97.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -63.66 -44.4 93.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.88 78.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.59 -45.47 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.33 -31.05 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 23.4 tt0 -65.06 -57.9 7.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -30.09 68.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -73.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.74 -7.25 5.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.2 mt -78.96 137.32 57.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.96 157.27 43.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.35 12.96 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.34 -33.08 73.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.18 7.41 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.82 133.23 36.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -133.98 97.45 3.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.711 ' HB2' HD12 ' A' ' 50' ' ' LEU . 8.5 mt -97.53 124.27 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -105.03 141.42 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -154.43 126.56 7.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 15.85 6.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.8 -7.45 81.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.578 1.174 . . . . 0.0 110.997 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -106.93 149.17 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.364 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -79.04 139.73 38.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 45' ' ' PHE . 62.4 mt -69.36 116.86 10.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.29 126.74 35.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -47.87 -50.29 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.3 -17.8 33.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -97.19 134.23 40.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.743 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 22' ' ' THR . 16.8 p -96.86 165.18 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 26' ' ' VAL . 4.2 mt -61.89 -40.25 94.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -63.06 -43.98 97.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -15.89 59.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.1 m-85 -97.89 -6.87 31.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 2.7 t-20 55.19 52.45 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 83.6 mt -78.99 146.89 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 19.6 mm-40 -97.29 151.09 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 133.46 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 50.87 13.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 61' ' ' ILE . 7.7 p -74.8 158.34 33.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -96.81 107.29 19.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -109.17 149.48 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.2 110.71 22.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.691 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 43' ' ' LEU . 6.6 tp -95.03 96.62 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 HD13 ' A' ' 8' ' ' LEU . 98.1 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.52 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.5 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.438 0.161 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -85.34 151.28 24.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.491 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -142.35 158.93 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.218 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 4.9 m-85 -118.94 98.33 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.8 p -86.35 144.95 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.52 149.93 28.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 m -99.16 165.99 11.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 70' ' ' VAL . 14.3 tp -63.9 -13.06 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -100.55 9.47 42.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.36 22.31 78.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.07 147.65 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.8 m -103.56 116.38 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.675 ' O ' HG12 ' A' ' 5' ' ' VAL . 1.8 mm -125.24 114.86 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.513 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -96.61 142.22 28.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.371 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.857 HD23 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -138.12 133.84 33.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 116.19 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.857 HG13 HD23 ' A' ' 15' ' ' LEU . 33.9 m -138.18 178.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 3.6 mt-10 -107.0 157.65 34.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.9 20.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -89.05 -16.38 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.56 146.49 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 26' ' ' VAL . 13.1 p -85.4 167.76 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -62.85 -29.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.35 -41.08 77.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.36 -44.3 88.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 22' ' ' THR . 29.8 t -63.72 -45.26 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 43' ' ' LEU . 6.1 mtpt -63.52 -35.37 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.82 93.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HB3' HD21 ' A' ' 15' ' ' LEU . 3.0 mttp -63.98 -45.22 90.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 27' ' ' LYS . 11.7 mt -64.73 -33.19 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.9 tt0 -65.2 -54.99 21.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -29.08 69.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -70.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -62.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.3 -6.8 6.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 37' ' ' PRO . 81.4 mt -80.03 140.76 53.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.01 158.77 41.99 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.496 1.787 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.14 -24.64 12.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -35.36 77.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.42 2.07 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.05 133.29 36.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.553 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.96 97.34 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -97.83 123.95 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.395 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.03 139.55 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -151.12 123.84 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 17.58 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.3 -6.55 82.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -104.05 138.94 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.253 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -82.05 135.65 35.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD21 ' HB2' ' A' ' 45' ' ' PHE . 11.2 mt -71.67 110.28 6.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -88.73 117.72 27.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.41 104.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.58 -14.24 2.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -96.82 145.9 25.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.257 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 p -90.45 151.89 21.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 26' ' ' VAL . 33.4 mt -60.85 -40.79 94.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.21 -34.97 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -20.2 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 42.6 m-85 -98.54 -2.43 38.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 54.97 50.73 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 45' ' ' PHE . 96.9 mt -78.81 144.49 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.52 152.63 22.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.41 146.23 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 27.3 tt0 54.1 44.75 28.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 p -75.17 151.79 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -102.91 107.85 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 50' ' ' LEU . 6.4 mp -109.25 150.56 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -107.12 109.7 21.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.88 103.44 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 8' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.8 ptp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.489 0.185 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -90.4 150.4 21.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.559 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -141.37 159.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.98 101.18 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.5 p -90.64 144.22 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.96 153.96 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 11' ' ' LYS . 30.9 p -99.92 164.2 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -6.49 13.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.5 m -98.68 -24.93 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.84 2.94 25.25 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 7' ' ' THR . 7.8 tptm -73.5 147.26 44.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 0.7 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 52.6 m -103.07 124.6 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.505 ' O ' HG12 ' A' ' 5' ' ' VAL . 78.3 mt -125.15 115.11 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.83 139.71 31.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.15 134.14 34.21 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -99.06 116.49 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.2 m -135.6 176.38 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -100.81 153.67 37.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.85 21.3 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.1 p -89.32 -22.64 22.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.74 148.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.6 p -85.53 170.37 12.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 50' ' ' LEU . 6.8 mm -64.31 -27.79 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.31 -45.43 76.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -65.17 -41.58 94.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.644 HG21 HD11 ' A' ' 56' ' ' LEU . 60.4 t -63.67 -46.72 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.8 mtpt -62.88 -39.8 95.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.247 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.05 90.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -44.29 92.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 27' ' ' LYS . 13.9 mt -64.25 -34.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.1 tt0 -65.19 -55.97 15.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -26.63 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -73.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.4 -59.74 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.07 -5.73 5.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.4 mt -79.0 142.61 60.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.98 159.49 41.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.96 -29.76 7.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 66.3 mm-40 -90.83 2.08 56.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 tt0 -93.38 135.41 34.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.61 95.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -97.96 125.8 43.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.33 145.79 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.5 t80 -151.68 123.34 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 20.27 8.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.19 -13.18 67.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.83 132.78 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -78.92 140.34 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 7.1 mt -77.6 116.87 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.95 118.62 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.01 104.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.96 -15.82 1.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.1 mmt180 -96.51 145.07 26.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -88.87 144.17 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 26' ' ' VAL . 8.5 mt -53.29 -40.96 65.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -62.31 -33.77 75.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -20.96 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 50.6 m-85 -97.97 -5.87 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.184 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.73 55.08 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 4.4 mt -79.06 147.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.57 154.73 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 137.43 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 54.84 51.9 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 p -75.06 156.0 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -101.68 104.74 15.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.6 mp -108.9 146.37 33.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 116.36 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.56 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 HD21 ' A' ' 43' ' ' LEU . 7.2 tp -96.19 120.09 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.5 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -87.93 149.58 23.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.547 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.7 pp -140.23 157.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.706 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.83 102.3 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.7 p -88.5 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -107.42 150.25 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.424 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 1.4 m -103.86 160.12 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.95 -20.63 16.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 6.4 t -99.6 24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.41 27.95 58.76 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -83.23 149.11 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.259 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -103.31 116.52 32.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 5' ' ' VAL . 23.5 mt -125.12 113.01 33.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -95.87 140.59 30.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.28 133.98 33.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.31 115.27 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG11 HG13 ' A' ' 26' ' ' VAL . 32.9 m -135.67 -178.32 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 153.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.42 21.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -89.09 -25.33 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -66.08 148.78 51.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -85.49 170.18 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 27' ' ' LYS . 20.1 mm -62.79 -30.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.23 -40.62 86.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -66.23 -46.9 75.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 56' ' ' LEU . 58.8 t -63.86 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 23' ' ' ILE . 10.0 mttt -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.27 95.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -64.08 -45.76 87.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.48 -35.2 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.2 tt0 -65.11 -53.08 50.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -29.23 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -74.84 -73.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.86 -60.91 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.45 -5.23 6.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.4 mp -81.42 142.55 50.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 164.19 33.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -31.73 6.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.07 -33.24 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 78.1 mm-40 -91.37 -7.03 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.528 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -93.04 140.36 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.516 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.82 104.36 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -97.71 117.32 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -103.76 136.23 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -151.09 127.97 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.28 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.94 51.59 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.576 1.173 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -101.0 136.39 40.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -84.0 142.51 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 45' ' ' PHE . 5.6 mt -76.4 117.34 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.91 116.78 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -47.17 104.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.96 -14.22 2.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -96.64 156.73 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -96.27 144.31 26.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -56.29 -36.91 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -63.14 -37.29 86.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.03 -19.53 65.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -97.81 -1.47 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 54.63 56.02 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 45' ' ' PHE . 9.2 mt -82.71 136.0 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -95.86 156.28 16.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 130.64 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 54.87 55.18 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -74.89 169.09 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.12 102.69 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 67' ' ' LEU . 2.3 mp -109.09 145.34 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 121.22 44.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -102.23 97.71 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 42' ' ' ARG . 5.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -91.24 159.28 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.3 pp -138.85 150.77 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CD1' HG23 ' A' ' 14' ' ' THR . 11.9 m-85 -118.94 103.11 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 67' ' ' LEU . 2.5 p -98.03 151.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.93 143.75 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -99.8 168.46 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -53.62 -27.68 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 11' ' ' LYS . 2.9 t -99.73 44.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.4 31.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HB2' HG23 ' A' ' 9' ' ' THR . 8.5 tttt -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -101.56 113.76 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mt -120.33 112.87 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.667 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.9 m -95.82 139.92 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -138.19 133.97 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -94.7 117.14 29.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG12 ' HD3' ' A' ' 29' ' ' LYS . 23.0 m -140.25 -179.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.6 mm-40 -107.14 154.2 40.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.19 21.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.624 1.855 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -22.55 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.22 150.14 48.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 p -85.22 171.51 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.45 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG22 ' HD2' ' A' ' 27' ' ' LYS . 22.2 mm -63.84 -34.04 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -37.88 84.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -66.27 -47.37 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.946 HG21 HD11 ' A' ' 56' ' ' LEU . 60.0 t -63.79 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG22 ' A' ' 23' ' ' ILE . 14.2 mttp -65.16 -40.75 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.04 95.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -63.87 -43.69 95.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.66 -34.0 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 41.9 tt0 -65.14 -59.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.95 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.9 tptt -75.41 -74.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.22 -60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.71 -4.13 5.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.644 HG23 ' HD2' ' A' ' 37' ' ' PRO . 18.4 mt -78.87 140.25 58.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.96 155.53 43.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.99 -22.13 15.15 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.04 -34.58 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -101.06 7.95 43.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.567 ' HG2' HD21 ' A' ' 43' ' ' LEU . 4.1 tt0 -93.44 131.55 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.96 98.5 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.567 HD21 ' HG2' ' A' ' 41' ' ' GLN . 4.9 mt -97.52 122.03 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -105.22 141.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 4.8 t80 -156.17 124.27 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.49 22.51 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.56 -2.68 86.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -107.94 136.8 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 0.715 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.89 137.41 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD11 HD23 ' A' ' 67' ' ' LEU . 6.2 mt -71.4 114.81 9.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 112.25 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.96 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.63 -15.12 2.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.9 mtt-85 -96.9 158.33 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -93.64 145.66 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.946 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -53.51 -40.31 65.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.0 t -62.33 -31.36 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -17.79 63.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -105.14 3.58 30.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t30 55.14 54.8 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 22.0 mt -84.79 131.77 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.08 159.78 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 129.91 22.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 1.3 mp0 54.82 54.9 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.407 ' OG ' HG23 ' A' ' 61' ' ' ILE . 5.9 m -73.87 167.66 21.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -106.19 100.67 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.2 mp -108.38 150.5 27.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.02 114.24 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.17 100.88 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.359 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.69 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 7.9 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.512 0.196 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -89.9 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -143.91 163.77 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.694 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.62 105.02 11.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.613 1.195 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.786 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.4 p -92.98 148.11 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.35 145.84 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -99.68 160.46 14.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.97 -9.41 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.459 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 97.6 m -98.95 9.46 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.14 60.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 17.8 mtmt -73.33 152.6 40.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -103.71 126.6 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.786 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.7 mm -125.19 114.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.1 m -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.08 129.42 27.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -98.48 107.3 19.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 15' ' ' LEU . 31.7 m -130.11 -175.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -107.16 158.82 32.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.33 21.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.08 -23.78 22.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.93 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 145.57 56.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 26' ' ' VAL . 49.0 p -85.17 170.91 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.459 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 50' ' ' LEU . 32.6 mm -58.0 -51.38 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -33.78 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.58 -44.34 78.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 22' ' ' THR . 3.4 t -63.65 -46.86 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 43' ' ' LEU . 22.9 mtmt -64.07 -35.18 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -64.41 -44.36 91.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.6 mt -63.93 -35.37 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 44.5 tt0 -65.36 -54.25 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.36 -30.58 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.5 mttt -79.73 -71.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.54 -63.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.02 -1.31 7.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.3 mt -81.89 138.87 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -18.98 18.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.16 -43.68 77.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.97 0.56 57.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.675 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -93.27 133.54 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -134.2 98.22 4.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.675 HD21 ' CG ' ' A' ' 41' ' ' GLN . 2.0 mt -98.09 119.89 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.79 148.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.652 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -151.16 127.43 10.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.81 21.67 3.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 -9.58 76.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 132.85 44.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -78.98 134.06 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 45' ' ' PHE . 14.6 mt -71.97 113.25 8.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.83 115.33 26.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.05 105.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -12.42 2.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.443 1.089 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -96.51 153.17 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -94.02 147.1 23.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 26' ' ' VAL . 24.1 mt -59.52 -37.02 77.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 t -63.08 -38.64 92.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -17.78 63.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -100.58 1.16 40.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.575 1.172 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 54.96 49.26 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 45.6 mt -78.84 128.24 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -94.69 156.03 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.07 132.23 23.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 56.84 55.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -75.06 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -106.76 98.34 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 5.4 mp -106.37 145.57 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 115.78 30.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.1 tp -98.57 108.64 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -87.31 153.42 21.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -141.94 154.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.8 m-85 -118.88 97.28 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.38 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -106.96 151.12 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 13' ' ' ILE . 3.2 m -103.5 168.93 8.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 70' ' ' VAL . 8.3 tp -63.68 -13.16 40.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 9' ' ' THR . 82.9 m -100.58 24.29 9.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.85 18.14 10.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -81.2 152.26 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -103.11 122.29 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 7' ' ' THR . 71.3 mt -124.85 112.5 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.674 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.4 m -98.51 139.01 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.132 . . . . 0.0 110.46 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.3 135.44 35.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -97.4 119.7 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 HD23 ' A' ' 15' ' ' LEU . 20.5 m -139.63 -179.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.22 158.87 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.57 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -89.29 -25.05 21.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.15 142.88 57.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.51 173.41 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 50' ' ' LEU . 11.4 mm -57.77 -62.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -43.75 -35.97 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.316 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -65.99 -45.77 80.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 22' ' ' THR . 21.9 t -63.42 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 30' ' ' ILE . 36.5 mtmt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.75 88.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.774 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.84 -39.29 93.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -62.8 -37.18 78.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.3 tt0 -65.22 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.42 -28.76 13.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -75.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -57.81 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.26 32.58 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.4 mt -89.81 142.56 29.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 144.38 30.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.05 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -28.6 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.23 4.06 41.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.596 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.04 129.75 38.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.86 99.89 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.596 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.4 mt -97.88 116.04 29.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.63 140.84 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 10.1 t80 -153.91 124.32 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.19 22.23 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.78 -16.08 48.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.04 133.42 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.753 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.09 136.97 36.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 59' ' ' TYR . 4.3 mt -79.28 110.03 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -89.42 134.38 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.11 110.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.77 -18.03 2.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -96.69 148.27 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.14 151.78 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD11 HG21 ' A' ' 26' ' ' VAL . 9.6 mt -62.03 -41.3 97.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -62.32 -36.52 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -20.72 60.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 50' ' ' LEU . 33.1 m-85 -101.02 -5.3 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 55.14 58.71 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 3.4 mt -78.94 143.39 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -95.62 156.67 16.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 131.67 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 55.8 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.417 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.0 p -75.01 158.43 33.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.057 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.04 103.63 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.5 mp -109.1 149.92 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.11 110.53 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HB2' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -99.23 96.5 7.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' VAL . 21.5 ptp . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.476 0.179 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -90.13 150.29 22.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.654 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -145.77 161.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.9 m-85 -119.06 104.36 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.183 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.1 p -92.06 141.95 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.738 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.97 151.45 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 13' ' ' ILE . 50.1 p -100.49 163.78 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -6.11 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -98.58 -20.87 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.87 1.99 34.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -73.35 141.39 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -101.9 123.41 45.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.423 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.0 mt -125.23 121.06 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.5 m -95.7 141.39 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -134.09 130.44 37.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' N ' HD13 ' A' ' 15' ' ' LEU . 2.4 pt-20 -99.76 106.96 18.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.894 HG13 HD12 ' A' ' 15' ' ' LEU . 13.5 m -130.15 178.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.09 160.35 26.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.49 20.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -89.24 -24.02 22.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.23 143.8 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -85.42 160.79 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' ILE . 22.9 mm -57.79 -26.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -44.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.0 -41.69 90.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 56' ' ' LEU . 58.7 t -63.64 -47.46 91.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.85 86.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.07 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HE3' HG12 ' A' ' 17' ' ' VAL . 4.3 mtmm -63.78 -47.86 79.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.02 -34.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.0 tt0 -65.35 -52.64 52.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -29.73 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -68.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -63.48 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.42 -6.25 6.28 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 37' ' ' PRO . 16.8 mt -81.49 141.48 48.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 0.808 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.584 1.834 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.27 8.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.41 -32.04 72.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -17.7 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.2 mt-30 -85.95 135.07 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' C ' HD23 ' A' ' 43' ' ' LEU . 10.7 ttt180 -133.7 102.6 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 43' ' ' LEU . 5.8 mt -97.5 119.88 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -102.34 145.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.856 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -155.52 130.53 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 20.2 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -12.6 65.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.34 145.78 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -81.53 141.79 33.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 45' ' ' PHE . 15.1 mt -77.35 110.88 12.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ARG . 17.3 mt-10 -89.13 134.55 33.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -49.46 -45.33 46.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.44 -8.03 43.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mmt180 -103.33 139.0 39.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -99.61 160.3 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.087 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 26' ' ' VAL . 5.3 mt -62.19 -37.86 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -62.1 -41.44 98.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.62 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 13.4 m-85 -99.99 -10.45 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 56.77 61.04 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mp -79.42 147.08 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -105.21 154.58 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 132.11 24.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 54.9 56.05 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 61' ' ' ILE . 3.1 m -75.23 168.87 19.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.738 HG23 ' HE2' ' A' ' 6' ' ' LYS . 4.3 m -107.55 99.58 9.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HB ' ' A' ' 3' ' ' ILE . 7.3 mp -100.51 143.75 30.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 111.01 23.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 2.8 tp -94.0 102.77 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.37 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.536 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -92.39 149.53 21.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -138.98 160.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 5.4 m-85 -118.78 98.67 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -87.08 144.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -113.55 146.54 39.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -100.06 169.17 9.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.8 tp -63.82 -13.33 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 ' HB2' ' A' ' 11' ' ' LYS . 3.5 t -100.5 28.67 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.62 23.75 6.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' HB2' HG23 ' A' ' 9' ' ' THR . 9.3 tptt -83.15 146.15 28.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -103.15 117.78 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -125.1 117.06 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.563 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -99.39 140.5 33.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.13 136.81 37.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.7 tt0 -101.18 121.12 41.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.753 HG11 HG13 ' A' ' 26' ' ' VAL . 27.3 m -140.0 176.23 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.71 160.78 25.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.08 21.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 t -89.17 -24.09 22.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.053 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.59 143.03 56.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.58 169.08 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 50' ' ' LEU . 5.5 mm -64.66 -27.9 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -40.38 81.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.55 -44.41 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 HG11 ' A' ' 17' ' ' VAL . 40.5 t -65.98 -37.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 3.2 mttp -66.05 -48.44 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.375 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.47 74.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -64.62 -47.13 79.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.08 -34.32 67.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 43.5 tt0 -65.25 -55.25 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -31.71 66.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -74.94 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.09 -62.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.66 -2.51 6.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.2 mt -78.99 142.77 60.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 152.19 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.02 -28.38 9.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.5 -41.09 80.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 14.34 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 38' ' ' PRO . 11.9 mt-30 -93.6 137.12 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 94.05 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' CD2' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.79 121.48 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -107.23 136.71 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.316 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 6.1 t80 -151.52 121.02 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.21 13.46 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.12 -5.09 68.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -108.01 137.92 45.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -84.52 135.75 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 23' ' ' ILE . 7.2 mt -79.33 103.4 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.392 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 134.05 34.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.71 113.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.78 -23.38 2.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -96.95 136.03 38.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -90.92 156.1 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 26' ' ' VAL . 1.7 mt -61.92 -28.19 69.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -63.09 -52.48 62.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.18 -14.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 12.5 m-85 -97.42 -14.9 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.84 64.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 mt -86.5 139.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.36 151.67 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -50.47 141.58 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 7.0 mt-10 54.61 47.3 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -75.32 150.83 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -100.3 104.17 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 4.0 mp -109.41 145.59 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -107.21 108.67 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.3 tp -101.28 98.67 9.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 9.3 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.569 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.7 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.504 0.193 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -91.13 149.57 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.917 HD13 HD13 ' A' ' 67' ' ' LEU . 2.5 pp -144.49 166.34 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.29 104.87 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -93.35 146.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 144.47 33.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.529 HG22 HD13 ' A' ' 8' ' ' LEU . 1.7 m -99.9 163.54 12.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.52 -21.74 10.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.638 ' N ' HD22 ' A' ' 8' ' ' LEU . 5.1 t -99.71 39.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.6 28.36 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' HG23 ' A' ' 9' ' ' THR . 4.9 ttpt -83.89 149.39 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -101.06 113.68 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 13' ' ' ILE . 22.2 mm -124.28 116.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 4' ' ' PHE . 43.1 m -96.58 148.46 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.05 130.2 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.9 pt-20 -99.04 104.85 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG13 HD12 ' A' ' 15' ' ' LEU . 33.8 m -130.48 -178.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -107.32 158.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -14.21 21.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -25.04 22.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.071 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.12 144.02 56.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.225 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.1 p -85.43 173.25 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 50' ' ' LEU . 22.0 mm -63.0 -33.23 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.57 -37.75 85.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.45 -43.23 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 56' ' ' LEU . 32.5 t -63.98 -47.14 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -58.39 -46.73 85.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.72 76.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.744 ' HD3' HG12 ' A' ' 17' ' ' VAL . 1.5 mttp -65.1 -45.79 83.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.73 -33.18 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' GLY . 64.1 tt0 -65.3 -63.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.51 -29.8 11.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -77.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -77.18 -59.52 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.78 30.07 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 37' ' ' PRO . 17.7 mm -89.56 141.66 28.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.578 0.811 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.95 145.59 31.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.781 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -29.78 7.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.96 -34.35 76.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.94 14.4 29.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.854 ' OE1' HD21 ' A' ' 43' ' ' LEU . 2.8 mm-40 -92.5 126.99 37.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -133.71 94.4 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.854 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.4 mt -97.21 119.21 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -100.82 139.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.6 t80 -151.66 122.41 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.85 25.62 12.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.28 -11.65 60.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 130.71 50.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.41 140.68 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 67' ' ' LEU . 7.1 mt -74.51 119.0 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.06 115.28 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.77 104.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.17 -13.89 2.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -96.63 150.47 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -91.22 143.7 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 26' ' ' VAL . 7.1 mt -55.3 -34.13 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -63.41 -42.63 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -63.38 -17.87 63.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.73 -1.2 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.37 49.09 19.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD13 HD22 ' A' ' 56' ' ' LEU . 8.8 mt -80.66 130.0 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.2 154.43 17.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 134.64 20.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.95 54.81 8.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -75.93 168.2 20.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -106.95 95.72 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 3' ' ' ILE . 3.7 mp -109.15 147.16 32.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.65 114.54 28.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.078 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -93.88 101.02 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' VAL . 11.9 ptp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.529 0.204 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -94.77 148.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.08 164.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.707 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.85 105.07 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.1 p -94.77 152.16 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.22 148.71 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.5 p -99.88 164.9 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 70' ' ' VAL . 1.6 mt -65.61 -8.8 22.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.2 m -99.36 5.86 46.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.32 0.67 78.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -73.69 149.45 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -103.01 124.93 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.1 mm -125.24 121.32 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.0 m -95.76 142.77 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.13 128.01 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -96.33 110.11 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.588 HG11 HG13 ' A' ' 26' ' ' VAL . 28.3 m -129.83 -178.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.56 160.51 26.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.05 20.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -89.29 -24.9 21.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.5 143.14 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.6 p -85.63 176.78 7.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 50' ' ' LEU . 13.8 mm -65.67 -39.51 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.71 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -47.32 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG21 HD11 ' A' ' 56' ' ' LEU . 47.6 t -63.84 -40.32 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' HG ' ' A' ' 43' ' ' LEU . 73.2 mttt -63.85 -43.48 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.35 -36.1 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' GLY . 59.4 tt0 -65.65 -55.75 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -24.21 55.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -68.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -91.85 -58.03 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.49 33.89 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.9 mt -90.32 142.59 28.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 145.5 31.23 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.0 -28.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.54 -30.37 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 7.1 mm100 -98.24 8.06 45.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 17.6 mt-30 -93.31 128.81 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.59 98.55 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -97.63 115.35 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 mt -103.37 145.58 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.2 t80 -151.88 108.8 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.93 47.83 21.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.43 42.64 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 117.51 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.64 128.69 34.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.9 mt -79.03 112.09 15.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.99 121.55 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -47.42 104.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.64 -15.02 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -96.62 153.38 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 0.72 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 HG22 ' A' ' 22' ' ' THR . 66.6 p -99.11 147.07 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 26' ' ' VAL . 7.4 mt -56.66 -33.6 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -63.05 -43.11 99.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -18.53 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HB2' HD12 ' A' ' 61' ' ' ILE . 10.6 m-85 -97.95 -15.93 19.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.85 66.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -87.19 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.9 151.08 19.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.14 128.75 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 54.87 53.59 10.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -74.72 167.73 21.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.27 102.62 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -109.06 149.15 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 113.13 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 tp -98.08 95.87 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 42' ' ' ARG . 5.8 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.465 0.174 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.418 ' CG ' HG22 ' A' ' 14' ' ' THR . 15.1 tt0 -91.73 152.2 20.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.539 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -138.78 151.67 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 6.5 m-85 -119.15 100.04 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -91.11 147.33 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -106.61 144.61 33.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.65 166.58 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.408 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.15 -25.49 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 9' ' ' THR . 3.5 m -99.48 43.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.91 30.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 3.4 tttm -82.72 149.48 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 m -103.06 110.49 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 5' ' ' VAL . 62.3 mt -119.92 109.81 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.418 HG22 ' CG ' ' A' ' 2' ' ' GLN . 7.5 m -96.94 142.48 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.33 139.72 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.75 110.62 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' HD23 ' A' ' 15' ' ' LEU . 25.0 m -132.15 177.6 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.2 158.84 32.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -14.21 21.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -25.08 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.13 144.42 57.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.31 166.26 16.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 23' ' ' ILE . 14.2 mm -58.06 -40.07 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.27 -36.82 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.75 -43.02 80.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' THR . 18.6 t -63.75 -45.13 98.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 30' ' ' ILE . 21.4 mttt -61.89 -46.99 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.57 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.48 -42.04 88.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 27' ' ' LYS . 9.1 mt -62.87 -35.22 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -65.45 -60.52 2.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.12 -29.78 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -72.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -88.46 -58.53 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.62 35.72 0.68 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.4 mt -89.51 142.61 29.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.88 142.66 28.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.45 1.763 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.98 -24.89 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -68.31 -37.97 81.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 14.52 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.379 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.0 mm-40 -93.16 123.81 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.75 97.47 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.652 ' HB2' HD12 ' A' ' 50' ' ' LEU . 5.1 mt -97.67 119.62 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.3 148.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -153.02 116.9 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.89 26.22 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.34 -5.3 84.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.97 123.16 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.29 132.19 35.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 43' ' ' LEU . 7.1 mt -79.21 114.77 18.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -88.92 121.72 31.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -47.35 104.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.55 -16.28 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -96.59 151.35 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.608 0.828 . . . . 0.0 110.356 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 p -94.57 144.58 25.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 61' ' ' ILE . 10.8 mt -53.51 -37.15 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -63.19 -39.78 95.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.54 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -98.29 -9.03 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t30 59.28 63.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.7 mt -88.97 133.16 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -95.33 156.7 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.47 139.29 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 9.8 mt-10 54.81 50.93 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -74.9 148.31 40.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.42 101.58 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.472 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mp -108.83 146.54 33.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -107.12 116.6 32.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.662 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.54 97.72 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.44 0.162 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -87.09 148.77 25.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.0 pp -142.17 161.01 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.58 101.59 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.2 p -90.12 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.86 147.91 29.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.594 ' CG2' HD12 ' A' ' 13' ' ' ILE . 28.7 p -100.17 159.33 15.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -66.26 -6.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.8 m -98.63 -3.08 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 -4.06 83.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 7' ' ' THR . 0.9 OUTLIER -73.24 149.08 43.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -103.7 125.83 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.811 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.7 mt -125.33 116.8 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.474 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.1 m -95.79 143.52 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.26 134.42 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.96 120.08 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG11 HG13 ' A' ' 26' ' ' VAL . 25.9 m -140.19 -176.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.38 158.8 32.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.85 20.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -23.38 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.75 148.11 51.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 p -85.7 168.24 14.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.53 HD12 HD13 ' A' ' 50' ' ' LEU . 21.7 mm -61.61 -35.36 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -36.71 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.22 -43.34 86.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.949 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -63.99 -45.19 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.85 98.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.17 90.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -63.8 -41.66 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mt -64.09 -33.7 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 42.5 tt0 -65.19 -54.97 21.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -29.32 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -74.64 -74.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -60.7 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.55 -4.54 5.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.744 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.3 mt -78.63 142.63 61.89 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.744 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 152.52 41.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.02 -19.03 18.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.19 -42.67 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -91.75 4.34 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.7 tt0 -93.17 129.28 39.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.528 ' NH2' HG11 ' A' ' 70' ' ' VAL . 40.1 ttp180 -133.8 103.9 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.749 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.6 mt -97.71 126.75 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -108.51 136.54 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CB ' HD21 ' A' ' 50' ' ' LEU . 8.3 t80 -153.54 129.46 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.12 20.37 12.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 -6.57 72.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.113 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -108.59 147.5 31.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 142.49 35.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 43' ' ' LEU . 48.4 mt -72.12 114.87 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' ARG . 32.0 mt-10 -89.39 125.01 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -47.81 -51.25 23.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.35 -18.31 35.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLU . 26.9 mmt180 -96.71 143.69 27.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -96.62 164.03 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.949 HD11 HG21 ' A' ' 26' ' ' VAL . 15.6 mt -61.63 -41.84 98.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 t -62.02 -33.79 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -99.61 -4.55 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 54.68 56.9 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.549 HD13 HD22 ' A' ' 56' ' ' LEU . 6.8 mt -78.79 140.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.85 149.17 21.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 134.4 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.0 45.28 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -71.72 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.04 107.05 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.583 HD23 HD11 ' A' ' 50' ' ' LEU . 7.4 mp -109.23 145.91 35.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 115.1 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.59 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 7.7 tp -97.26 107.03 19.46 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.614 1.196 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG11 ' NH2' ' A' ' 42' ' ' ARG . 45.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.666 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 21.7 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.07 148.84 21.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -143.28 167.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.696 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.79 99.82 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -84.28 144.3 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.835 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.91 145.66 31.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.48 HG21 ' CD1' ' A' ' 13' ' ' ILE . 3.0 p -103.2 161.79 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.79 -5.62 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 t -98.37 2.09 47.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 110.337 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.69 -3.52 74.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 7' ' ' THR . 10.2 tttt -73.08 148.43 44.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -103.27 127.87 50.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 7' ' ' THR . 1.2 mp -125.39 119.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.696 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.9 m -96.42 142.73 28.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.763 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -138.04 128.81 26.83 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 107.96 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.763 ' CG1' HD12 ' A' ' 15' ' ' LEU . 21.0 m -132.24 -176.85 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.666 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.35 156.2 38.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -13.61 21.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -25.44 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.02 146.18 55.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 26' ' ' VAL . 31.7 p -85.8 169.67 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.487 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' ILE . 10.9 mm -57.57 -60.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -44.68 -31.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.22 -43.99 60.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 22' ' ' THR . 11.9 t -63.72 -43.35 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -63.85 -43.81 95.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.6 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 17' ' ' VAL . 13.8 tttt -65.0 -41.95 94.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.54 -36.2 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.6 tt0 -65.48 -58.59 5.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -26.88 33.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -74.58 -71.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -89.72 -58.13 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.36 35.93 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.7 mt -89.88 142.53 29.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 142.3 27.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.1 Cg_endo -75.02 -28.81 8.82 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.591 1.837 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -31.03 71.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.72 12.32 37.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.678 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.8 mm-40 -92.83 127.95 38.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 96.68 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -97.67 117.75 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -107.36 142.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE2' HG12 ' A' ' 61' ' ' ILE . 3.2 t80 -152.45 123.52 7.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.88 23.51 9.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.96 -13.09 64.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.96 128.54 46.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.805 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -84.67 131.65 34.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.24 107.05 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.1 137.74 32.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 106.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.2 -15.45 2.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 4.0 mmt180 -96.56 150.43 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.216 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -98.95 143.01 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 18' ' ' GLU . 14.0 mt -54.21 -39.99 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 t -63.43 -34.72 78.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -22.35 63.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 56.6 m-85 -100.71 -3.28 30.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 54.54 57.58 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 3' ' ' ILE . 5.8 mt -79.04 140.38 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -95.16 154.08 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 129.88 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 55.16 51.16 13.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -74.1 169.35 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.835 HG23 ' HE2' ' A' ' 6' ' ' LYS . 1.8 m -104.53 104.18 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -108.62 149.84 28.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 111.96 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.574 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 41' ' ' GLN . 3.8 tp -99.15 95.32 7.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG13 ' CD1' ' A' ' 8' ' ' LEU . 86.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.455 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 17.5 ptp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.462 0.172 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.13 149.9 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.562 ' C ' HD12 ' A' ' 3' ' ' ILE . 1.3 pp -142.45 162.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.403 1.064 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.1 m-85 -118.37 101.06 7.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -90.42 146.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -106.55 148.9 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD12 ' A' ' 13' ' ' ILE . 65.5 p -103.86 160.27 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 70' ' ' VAL . 10.6 tp -66.43 -5.76 12.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.6 m -98.64 3.72 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 -7.44 61.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -72.54 148.67 44.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 m -103.28 128.92 50.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 7' ' ' THR . 92.7 mt -125.16 119.79 56.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.685 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.6 m -96.28 144.09 26.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.32 126.12 22.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.32 116.02 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.783 HG11 HG13 ' A' ' 26' ' ' VAL . 17.3 m -137.8 -179.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.6 mm-40 -107.13 161.13 23.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.363 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -13.44 21.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 p -89.1 -25.65 21.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.62 143.17 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.1 p -85.77 171.05 11.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.483 HG22 ' CD ' ' A' ' 27' ' ' LYS . 33.3 mm -58.42 -42.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.22 -37.37 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -44.87 88.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.783 HG13 HG11 ' A' ' 17' ' ' VAL . 4.0 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -62.92 -41.39 99.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.4 90.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.9 mttp -63.85 -43.62 95.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.8 mt -63.22 -32.98 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.4 tt0 -65.4 -67.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -25.02 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -78.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.19 -54.45 5.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.1 26.53 1.85 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.4 mt -89.51 141.64 28.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -75.02 149.11 36.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.2 Cg_endo -74.97 -24.82 12.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.382 1.727 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -36.71 80.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -96.22 12.44 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.59 ' OE1' HD13 ' A' ' 69' ' ' LEU . 4.7 mm-40 -92.97 125.81 37.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -133.83 97.31 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.39 119.43 35.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 42' ' ' ARG . 2.4 mp -107.99 147.89 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -152.76 105.93 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 47.29 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 8.74 51.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -108.03 114.05 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.74 128.09 33.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 HD23 ' A' ' 67' ' ' LEU . 6.9 mt -77.58 112.43 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE2' ' NH2' ' A' ' 54' ' ' ARG . 1.8 mp0 -86.13 116.53 24.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -47.39 104.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.79 -14.25 2.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 8.7 mtt180 -96.86 158.5 15.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 HG22 HG22 ' A' ' 22' ' ' THR . 74.4 p -99.0 147.17 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 18' ' ' GLU . 9.4 mt -59.12 -33.02 70.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -62.51 -46.6 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.87 -16.43 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 10.7 m-85 -98.07 -17.81 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.57 66.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.1 mp -88.8 142.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -94.74 154.08 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.33 124.69 10.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.11 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 55.26 51.01 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -66.73 166.87 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -102.52 100.73 10.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 7.0 mp -109.26 149.23 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 112.73 25.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.641 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.8 tp -95.1 90.45 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.734 HG23 HD13 ' A' ' 8' ' ' LEU . 7.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' VAL . 13.3 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -88.56 148.99 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -139.79 159.88 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.3 m-85 -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 69' ' ' LEU . 1.4 p -90.22 141.35 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.69 147.85 29.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.404 ' HB ' HG22 ' A' ' 9' ' ' THR . 5.3 m -99.79 169.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.0 HD13 HG13 ' A' ' 70' ' ' VAL . 12.8 tp -64.18 -12.44 40.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.404 HG22 ' HB ' ' A' ' 7' ' ' THR . 14.6 t -100.61 12.87 36.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.07 16.98 69.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -76.58 147.88 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.0 m -103.11 119.87 39.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.15 114.03 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.687 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.0 m -96.01 137.39 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 29' ' ' LYS . 11.1 tp -138.6 133.66 32.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.56 117.3 29.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 26' ' ' VAL . 10.6 m -137.11 179.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 mt-10 -107.57 159.55 29.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.96 21.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.456 1.766 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -24.66 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.9 143.68 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -85.86 167.44 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 50' ' ' LEU . 18.1 mm -59.78 -33.66 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.42 -34.59 78.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.8 t-20 -69.56 -48.14 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 56' ' ' LEU . 36.5 t -63.83 -39.02 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 30' ' ' ILE . 3.9 mtmp? -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.35 93.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB3' HD21 ' A' ' 15' ' ' LEU . 16.0 mtpp -64.15 -45.01 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 27' ' ' LYS . 19.2 mt -63.08 -33.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 tt0 -65.74 -62.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.42 -32.26 17.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -77.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -62.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 120.45 14.98 5.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.088 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.417 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -88.85 144.38 32.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.06 151.59 39.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.0 -26.88 10.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.62 -38.49 80.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 12.49 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.3 mt-30 -93.59 135.57 34.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 90.2 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.575 ' CD2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.27 118.59 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.0 mt -105.62 140.46 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 6.1 t80 -152.92 123.1 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.55 19.28 9.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.55 -17.67 56.99 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -99.8 130.13 45.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.59 137.68 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 1.4 mt -79.3 104.72 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.18 135.79 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 28.8 t0 -48.03 111.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.57 -15.78 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 12.2 mmt180 -96.9 146.78 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -99.57 144.59 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD11 HG21 ' A' ' 26' ' ' VAL . 9.8 mt -54.42 -39.08 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -63.12 -38.71 92.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.068 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -20.36 63.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 54' ' ' ARG . 14.5 m-85 -99.61 -7.17 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 54.65 57.39 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 7.1 mt -78.99 144.32 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.62 151.85 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -50.18 131.53 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 54.98 53.69 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.9 m -75.46 168.15 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.09 102.08 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 5.2 mp -105.99 146.06 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 43' ' ' LEU . 6.0 tp -98.07 98.97 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.0 HG13 HD13 ' A' ' 8' ' ' LEU . 61.0 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.01 149.53 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.685 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -144.51 163.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.72 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.4 m-85 -118.17 99.01 6.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 13' ' ' ILE . 11.7 p -85.06 141.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 150.04 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -99.81 162.31 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -4.17 8.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.0 m -98.2 -25.32 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.66 -0.7 26.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -73.23 147.38 44.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.814 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.9 m -103.56 125.57 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.8 mm -125.41 116.5 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.72 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.72 139.68 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.03 136.4 36.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 15' ' ' LEU . 30.7 tt0 -98.93 119.49 37.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.63 -179.77 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.23 156.32 37.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.66 20.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -89.33 -16.88 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -71.1 148.46 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 74.9 p -85.52 170.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 50' ' ' LEU . 16.0 mm -62.69 -41.53 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -33.75 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.298 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.92 -46.21 68.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.952 HG21 HD11 ' A' ' 56' ' ' LEU . 49.1 t -63.81 -41.13 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.883 ' HG3' HD11 ' A' ' 43' ' ' LEU . 16.3 mtpt -66.07 -36.72 83.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.72 94.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.85 -49.99 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.76 -32.43 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' GLY . 39.3 tt0 -65.32 -56.95 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -25.81 66.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -75.11 -75.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.14 -56.06 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 124.74 4.34 7.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 89.7 mt -78.69 143.37 62.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 -31.4 6.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.95 -35.82 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 109.367 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 5.0 tp60 -90.82 4.33 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.572 ' HG3' HG22 ' A' ' 36' ' ' ILE . 26.1 mt-30 -93.79 136.12 34.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -133.48 100.53 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.883 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.1 mt -97.03 117.68 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -106.15 130.73 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 5.2 t80 -151.04 141.76 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 19.87 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.78 -10.73 61.57 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.91 145.53 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -80.94 142.63 33.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 43' ' ' LEU . 15.1 mt -74.83 121.07 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -88.54 112.82 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -47.16 103.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.01 -14.89 2.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.91 152.63 18.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -91.23 152.1 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.952 HD11 HG21 ' A' ' 26' ' ' VAL . 16.5 mt -61.36 -36.44 80.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.3 t -63.22 -37.9 89.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.08 -19.07 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -97.92 -3.58 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 45.0 t-20 54.79 53.29 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 56' ' ' LEU . 5.1 mt -82.62 138.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 21.2 mm-40 -98.22 149.65 22.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.9 ttpt -50.59 141.99 11.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 53.84 38.12 27.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.54 172.78 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.058 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -107.57 107.53 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.6 mp -109.2 142.63 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 114.28 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.681 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 12.8 tp -99.0 100.25 11.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.603 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.99 149.25 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 HD22 ' A' ' 67' ' ' LEU . 46.1 pt -144.5 163.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 5.9 m-85 -118.67 98.6 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.3 p -83.75 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -114.06 147.29 38.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -99.91 165.1 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.595 HD13 HG13 ' A' ' 70' ' ' VAL . 12.3 tp -63.93 -13.07 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' LYS . 9.5 t -100.78 20.8 14.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.8 23.93 61.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.565 1.165 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -83.73 146.32 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.358 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -103.62 114.74 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.785 ' O ' HG12 ' A' ' 5' ' ' VAL . 70.2 mt -125.08 120.15 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.0 m -95.79 149.6 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.953 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.52 134.49 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 pm0 -101.02 107.42 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.224 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.953 HG13 HD12 ' A' ' 15' ' ' LEU . 34.2 m -135.12 -179.78 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mm-40 -107.28 158.39 33.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.61 21.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 p -89.26 -24.3 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.27 146.69 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.1 p -85.46 175.0 9.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 50' ' ' LEU . 6.0 mm -67.56 -27.42 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -69.2 -42.9 75.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -67.01 -44.57 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 56' ' ' LEU . 50.0 t -65.85 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -40.53 90.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -64.29 -41.47 96.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' GLU . 45.4 mt -64.74 -37.84 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.4 tt0 -62.74 -59.0 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -26.39 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -78.51 -72.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.29 -60.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.16 -4.3 5.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -78.72 142.55 61.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 153.58 41.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.09 -25.86 11.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -69.15 -43.37 74.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.55 13.71 15.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.385 1.053 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.598 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -94.08 134.47 36.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -133.63 98.29 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 69' ' ' LEU . 7.2 mt -97.32 121.45 39.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.75 136.68 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 7.6 t80 -151.45 124.17 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.42 20.05 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.9 -11.21 69.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -104.35 134.61 47.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 0.758 . . . . 0.0 109.212 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.46 140.86 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 23' ' ' ILE . 10.7 mt -76.21 118.38 18.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -89.08 120.02 30.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.03 103.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.15 -15.79 1.91 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -96.72 149.29 21.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -94.37 151.99 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 26' ' ' VAL . 4.5 mt -57.56 -37.57 73.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.25 -40.96 98.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.96 -20.63 58.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.83 -6.76 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 55.08 57.3 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mt -78.9 148.71 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.0 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -51.12 127.21 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 10.2 pt-20 48.91 48.3 20.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 20.6 t -64.62 172.82 2.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -105.03 107.06 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.0 mp -109.18 144.61 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -106.92 115.3 29.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.7 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -102.23 106.72 17.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG13 HD13 ' A' ' 8' ' ' LEU . 25.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.3 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.546 0.212 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -92.64 152.83 19.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pp -143.86 161.58 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.678 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.7 m-85 -118.96 119.66 34.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -108.31 155.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 143.71 44.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 13' ' ' ILE . 41.0 p -101.05 173.05 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.56 -15.09 57.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 9' ' ' THR . 6.4 m -98.93 24.86 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.4 20.27 5.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -83.83 151.21 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -102.97 122.26 44.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 7' ' ' THR . 48.3 mt -124.97 119.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.9 m -95.9 139.26 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -137.86 135.47 36.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.93 113.47 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.766 HG11 HG13 ' A' ' 26' ' ' VAL . 27.8 m -129.86 174.48 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -107.29 159.64 29.39 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.77 21.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -89.26 -19.42 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.99 142.88 45.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 26' ' ' VAL . 64.8 p -85.49 171.35 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.383 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG22 ' HD2' ' A' ' 27' ' ' LYS . 16.6 mm -58.16 -43.6 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.54 -32.97 70.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -48.48 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.766 HG13 HG11 ' A' ' 17' ' ' VAL . 17.2 t -63.91 -37.26 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 23' ' ' ILE . 8.2 mttp -66.19 -47.13 74.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.62 74.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.7 mttt -64.93 -44.68 88.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.563 HG23 ' OE1' ' A' ' 34' ' ' GLU . 26.1 mt -64.06 -33.4 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.5 tt0 -65.25 -63.09 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -22.42 60.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.39 -74.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.563 ' OE1' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -71.3 -56.69 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.11 0.63 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 14.6 mt -78.28 143.36 64.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.804 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.04 152.23 40.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.92 -26.19 11.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -44.02 73.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.83 20.03 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 1.9 mt-30 -94.08 133.6 37.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 12.2 ttt180 -133.43 89.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD2' HD13 ' A' ' 69' ' ' LEU . 3.5 mt -97.22 121.39 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.28 143.06 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.936 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -152.79 120.15 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.09 13.58 8.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.21 -4.1 70.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.33 137.41 45.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.33 139.0 36.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 43' ' ' LEU . 18.2 mt -75.44 115.91 15.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 112.86 24.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.13 104.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.93 -14.43 2.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.3 mtt-85 -96.68 150.84 20.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.5 p -99.06 150.47 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.8 mt -62.37 -28.13 69.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 t -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.48 -15.17 24.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.52 -14.28 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 54.9 69.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 ' CE2' ' A' ' 45' ' ' PHE . 17.0 mm -88.02 142.68 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.03 145.8 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -50.67 133.07 26.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 54.55 53.85 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -75.19 166.5 23.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -107.18 100.63 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 67' ' ' LEU . 2.3 mp -109.13 145.17 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.46 110.19 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 43' ' ' LEU . 4.0 tp -96.64 93.75 6.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 3.6 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.462 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.22 149.46 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -139.06 163.05 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 14' ' ' THR . 9.0 m-85 -118.68 103.0 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.8 p -88.87 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.15 145.05 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' THR . 5.6 p -100.71 159.64 15.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.46 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -3.1 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' THR . 91.3 m -98.1 -9.92 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.95 -6.45 69.5 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.14 149.59 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -103.55 127.58 50.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.804 ' O ' HG12 ' A' ' 5' ' ' VAL . 29.5 mm -125.44 117.14 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.558 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.0 m -95.96 142.26 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.35 132.28 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -97.11 113.62 25.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG11 HG13 ' A' ' 26' ' ' VAL . 33.8 m -132.95 177.45 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' HD12 ' A' ' 56' ' ' LEU . 4.0 mt-10 -107.43 160.95 24.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.64 20.64 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -89.29 -24.24 22.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.54 143.13 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 p -85.69 173.64 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 50' ' ' LEU . 12.3 mm -61.78 -36.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.3 pt-20 -63.69 -37.86 88.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 t-20 -67.35 -44.3 79.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 17' ' ' VAL . 59.6 t -64.0 -43.09 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -63.88 -42.06 97.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.1 88.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -42.41 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG21 HE22 ' A' ' 41' ' ' GLN . 50.8 mt -63.16 -33.96 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.0 tt0 -65.48 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.22 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.89 -27.4 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -74.8 -78.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -56.88 4.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.03 28.93 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.8 mt -89.72 142.47 29.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.97 145.65 31.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -26.2 11.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -68.19 -42.63 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.12 14.9 12.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.677 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.7 mm-40 -93.14 124.62 37.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -133.47 97.58 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.677 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.0 mt -97.4 120.6 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.82 141.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.769 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -154.48 126.4 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.6 17.92 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.54 -12.23 70.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -103.68 137.11 42.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.6 141.72 31.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.197 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' ILE . 14.2 mt -75.85 119.96 20.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.06 115.56 26.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -47.27 103.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.46 -14.83 2.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -96.84 146.7 24.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.5 p -90.27 149.72 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 26' ' ' VAL . 5.7 mt -61.91 -28.77 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -62.44 -50.85 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.39 -13.22 37.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -97.84 -13.62 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 54.95 60.38 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.769 HD12 ' CE2' ' A' ' 45' ' ' PHE . 9.6 mm -78.91 146.39 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.88 145.54 24.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.43 125.19 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 54.8 49.28 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -72.09 172.51 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -107.11 107.91 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.7 mp -108.76 149.79 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -107.16 110.59 22.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.615 1.197 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 ' OE1' ' A' ' 41' ' ' GLN . 5.9 tp -94.63 98.88 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.953 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.2 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.418 0.151 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -95.12 152.07 18.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.59 157.5 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -120.22 105.9 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.2 p -95.62 152.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.379 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -107.9 148.57 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.5 p -105.77 167.17 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.55 -15.71 58.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 9' ' ' THR . 2.9 m -99.21 24.64 7.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.78 18.23 7.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.07 150.9 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -99.71 124.34 44.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 5' ' ' VAL . 18.9 mm -125.23 113.96 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.71 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.4 m -95.92 140.12 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.26 134.22 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -100.89 109.82 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -130.01 178.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.35 160.33 26.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.71 21.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -24.7 22.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.79 145.31 54.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.1 p -85.71 173.0 10.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.621 HD11 HD13 ' A' ' 50' ' ' LEU . 5.4 mm -62.54 -37.75 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -37.13 85.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -45.9 74.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 17' ' ' VAL . 86.3 t -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HG3' HD11 ' A' ' 43' ' ' LEU . 1.7 mtpt -66.09 -42.75 88.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.37 81.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.55 -45.97 81.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' GLU . 20.6 mt -63.39 -35.72 73.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.3 tt0 -65.29 -58.44 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -32.51 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -76.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.95 -61.57 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.09 10.29 6.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.1 mt -87.61 142.79 33.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 158.18 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -25.95 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.432 1.754 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -68.94 -38.68 79.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.99 5.64 49.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HG2' HD21 ' A' ' 43' ' ' LEU . 1.8 tt0 -93.45 128.08 39.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -134.05 100.56 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.3 mt -97.76 121.39 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 mm -109.18 142.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t80 -151.62 117.79 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.76 33.54 23.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.46 0.98 59.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -101.19 124.56 47.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.02 125.19 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.621 HD13 HD11 ' A' ' 23' ' ' ILE . 8.0 mt -79.58 103.04 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 135.46 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.349 1.03 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.12 108.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.86 -17.73 2.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -96.7 142.95 28.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 p -98.88 153.55 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 61' ' ' ILE . 3.7 mt -61.22 -28.24 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -63.14 -54.67 34.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.923 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.1 -17.34 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.5 m-85 -97.58 -15.81 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 54.86 66.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -83.69 144.2 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.23 152.48 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 127.98 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 54.88 49.74 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -67.81 168.13 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.36 98.36 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 mp -104.69 149.91 25.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.07 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.537 ' HB2' HG21 ' A' ' 5' ' ' VAL . 11.2 tp -97.97 90.13 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.0 ptp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -87.66 149.79 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -142.97 161.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.67 103.79 10.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.6 p -92.48 147.21 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -108.58 155.12 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 9' ' ' THR . 3.8 m -99.98 164.53 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 70' ' ' VAL . 13.1 tp -64.62 -11.39 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 11' ' ' LYS . 15.0 t -99.97 -10.95 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.05 13.09 43.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 9' ' ' THR . 7.9 mtpt -75.06 151.09 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 m -103.39 117.87 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.743 ' O ' HG12 ' A' ' 5' ' ' VAL . 45.1 mt -125.07 113.4 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 4' ' ' PHE . 13.9 m -95.74 143.4 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.64 134.55 33.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -99.24 119.67 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG13 ' A' ' 26' ' ' VAL . 14.8 m -140.11 178.59 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.4 mt-10 -107.4 161.34 23.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -15.82 20.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.29 -24.59 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.24 143.91 56.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.38 171.93 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.648 HD12 HD13 ' A' ' 50' ' ' LEU . 27.7 mm -59.46 -49.57 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -54.62 -36.72 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -65.64 -44.33 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -63.71 -44.57 98.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -63.13 -41.04 99.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.07 88.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -64.45 -43.9 92.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.1 mt -63.76 -34.91 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLY . 34.9 tt0 -65.09 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -31.1 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -77.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.71 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.52 -0.54 6.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 37' ' ' PRO . 20.0 mt -78.8 143.02 61.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 152.45 40.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.1 -18.28 18.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.47 -42.12 79.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -91.46 0.79 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 2.6 tt0 -93.21 126.0 38.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -133.84 103.83 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.3 mt -97.55 122.89 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -104.54 144.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.2 t80 -152.5 130.17 11.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.17 16.82 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 -12.8 68.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.31 136.69 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.774 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -79.17 140.93 37.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD13 HD12 ' A' ' 23' ' ' ILE . 13.4 mt -75.92 117.13 17.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.28 114.63 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.19 104.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.68 -15.94 2.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -96.81 155.88 16.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 p -99.28 148.02 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 26' ' ' VAL . 1.5 mt -57.27 -31.91 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.7 t -63.19 -41.92 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.041 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -18.51 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.628 ' HB2' HD12 ' A' ' 61' ' ' ILE . 26.0 m-85 -98.3 -10.03 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 55.45 59.87 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -82.05 142.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.75 153.51 17.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.47 130.01 23.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.6 mp0 54.91 53.3 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -72.1 170.96 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.42 104.61 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.2 mp -108.94 146.2 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -107.11 114.73 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tp -94.95 104.05 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 8' ' ' LEU . 8.5 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.504 0.192 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.92 149.08 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.9 157.44 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.54 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.71 99.41 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 13' ' ' ILE . 10.2 p -88.88 143.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 150.88 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' HD12 ' A' ' 13' ' ' ILE . 47.1 p -99.95 164.06 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.905 ' CD1' HG22 ' A' ' 70' ' ' VAL . 1.6 tp -66.34 -6.21 13.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -98.52 -21.47 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.93 3.66 34.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -73.55 146.67 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -103.13 121.47 42.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.766 ' O ' HG12 ' A' ' 5' ' ' VAL . 26.8 mt -125.26 117.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 4' ' ' PHE . 22.4 m -95.67 146.22 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.966 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -138.27 136.47 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.5 pt-20 -100.95 112.3 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.966 HG13 HD12 ' A' ' 15' ' ' LEU . 22.8 m -135.11 -177.68 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -107.2 158.17 33.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -14.97 20.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.36 -24.13 22.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.933 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 146.47 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.5 p -85.71 169.52 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.9 mm -62.68 -32.67 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.24 -38.74 85.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -47.87 72.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 56' ' ' LEU . 93.1 t -64.0 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG2' HD11 ' A' ' 43' ' ' LEU . 9.1 mtmt -65.17 -40.84 94.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.2 96.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.34 97.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.99 -35.88 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 tt0 -64.91 -52.42 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -31.06 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.12 -72.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.21 -61.29 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.88 -6.27 6.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.0 mp -79.7 142.65 57.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.09 154.24 41.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.92 -23.22 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.66 -44.39 74.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.9 19.42 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 8.0 mt-30 -93.43 138.65 31.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.71 84.51 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -97.13 124.12 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -109.67 144.41 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.877 ' HB2' HD21 ' A' ' 50' ' ' LEU . 11.1 t80 -159.41 125.32 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.37 20.72 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.74 -7.22 77.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.56 146.05 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -79.03 142.16 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 ' HB2' ' A' ' 45' ' ' PHE . 19.1 mt -68.92 110.85 4.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -89.2 126.09 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -51.49 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -19.03 26.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -97.0 141.21 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 p -98.01 167.69 10.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 26' ' ' VAL . 14.3 mt -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 t -61.79 -37.11 83.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -19.94 64.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -98.72 -5.89 30.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.3 t30 56.95 54.5 6.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 ' CE2' ' A' ' 45' ' ' PHE . 11.8 mt -80.87 139.61 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -94.89 156.88 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 130.57 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mp0 54.48 54.67 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HG23 ' A' ' 61' ' ' ILE . 7.8 m -75.23 166.83 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -103.44 105.93 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 4.0 mp -109.07 145.54 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -107.06 109.26 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.636 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 43' ' ' LEU . 5.7 tp -94.03 112.21 24.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 8' ' ' LEU . 3.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -92.1 146.64 23.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -137.35 160.63 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' HG2' ' A' ' 64' ' ' GLU . 5.9 m-85 -120.82 108.93 14.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.69 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -108.44 157.35 18.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 9' ' ' THR . 4.9 m -99.86 166.22 11.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -64.95 -10.75 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.488 HG23 ' HG3' ' A' ' 11' ' ' LYS . 14.8 t -99.9 -22.13 15.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 11.49 17.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' THR . 14.9 mttt -73.81 147.72 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -103.39 119.51 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -125.07 115.76 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.5 m -95.77 143.01 27.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -138.26 138.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.21 118.47 37.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 26' ' ' VAL . 22.8 m -140.32 176.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -107.28 161.67 22.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.09 21.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -89.24 -25.43 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.46 143.35 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . 47.5 p -85.58 170.15 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD13 ' A' ' 50' ' ' LEU . 11.2 mm -58.6 -40.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -36.86 81.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.205 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.71 -45.28 83.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 56' ' ' LEU . 18.6 t -63.7 -44.96 98.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -61.71 -42.04 98.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.7 88.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.809 ' HB3' HD21 ' A' ' 15' ' ' LEU . 7.1 mttt -63.9 -41.0 97.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.601 HG13 HD22 ' A' ' 15' ' ' LEU . 23.4 mt -64.4 -35.57 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.8 tt0 -64.42 -59.39 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -26.81 63.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -75.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -68.53 -59.26 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.76 -3.74 5.36 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.784 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.8 mt -78.41 143.57 64.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.425 0.72 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.03 152.21 40.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.393 1.733 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.98 -18.14 19.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.87 -43.95 74.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.02 17.73 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 110.23 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 38' ' ' PRO . 12.7 mt-30 -93.77 131.36 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' C ' HD23 ' A' ' 43' ' ' LEU . 14.6 ttm-85 -133.9 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . 4.8 mt -96.62 120.66 37.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.37 141.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.1 t80 -151.76 118.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.63 23.08 12.87 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.48 -0.89 88.49 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -108.52 134.8 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 132.34 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 43' ' ' LEU . 11.6 mt -70.3 113.51 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 118.24 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 -14.65 2.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -96.43 144.23 26.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -93.43 143.76 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -55.16 -35.4 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.361 1.038 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -62.88 -48.0 80.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 -12.92 42.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -97.91 -16.07 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 65.02 59.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.783 HD12 ' CE2' ' A' ' 45' ' ' PHE . 15.7 mm -81.94 140.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -96.82 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.85 129.22 22.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.7 mp0 54.52 55.19 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.234 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.498 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.7 p -70.82 156.79 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 50' ' ' LEU . 5.7 mp -109.28 146.57 34.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -106.75 113.38 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.45 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 8' ' ' LEU . 83.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.8 ptp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -89.48 150.36 22.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.858 HD13 HD13 ' A' ' 67' ' ' LEU . 1.6 pp -140.81 156.86 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.681 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.6 m-85 -119.26 108.1 14.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -97.8 150.79 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.8 148.53 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' LYS . 24.7 p -101.35 162.98 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -66.32 -6.65 14.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 m -98.51 -5.67 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.09 81.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 7' ' ' THR . 1.0 OUTLIER -73.05 148.69 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -103.59 130.5 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.0 mt -125.37 123.51 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.681 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.3 m -98.59 138.89 35.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.38 135.14 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' N ' HD13 ' A' ' 15' ' ' LEU . 18.1 tt0 -100.45 119.11 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 15' ' ' LEU . 35.5 m -136.68 179.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.3 156.82 36.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.97 21.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -25.02 21.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.44 146.56 54.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.3 p -85.43 171.69 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 50' ' ' LEU . 22.2 mm -57.93 -53.47 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.94 -36.93 50.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -44.34 90.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 56' ' ' LEU . 60.8 t -63.54 -44.95 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -37.04 85.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.85 98.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 15' ' ' LEU . 31.6 tttt -63.68 -46.94 83.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' OE1' ' A' ' 34' ' ' GLU . 25.2 mt -63.14 -32.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 33.0 tt0 -65.37 -63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -27.82 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -78.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' OE1' ' CG2' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -68.98 -58.1 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.48 19.09 3.54 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.9 mt -89.24 142.97 30.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.217 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.03 148.23 34.89 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.514 1.797 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.01 -23.11 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -68.75 -39.4 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.235 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -93.77 6.79 47.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.32 130.53 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -133.93 100.6 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.86 120.72 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -104.51 142.05 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.4 t80 -154.5 125.32 7.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.91 17.41 7.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -4.37 82.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.96 137.99 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.216 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.73 136.41 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 HD12 ' A' ' 23' ' ' ILE . 21.0 mt -71.56 116.05 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.04 114.5 25.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -47.06 105.68 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.82 -12.47 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.51 154.8 17.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -97.18 144.39 27.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 26' ' ' VAL . 26.6 mt -58.03 -36.35 72.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -61.81 -45.85 92.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -14.06 50.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -98.68 -11.95 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.92 61.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 45' ' ' PHE . 5.9 mm -87.9 135.95 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -96.05 153.45 17.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 130.75 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.73 55.13 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 m -74.08 168.25 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -106.75 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 3' ' ' ILE . 5.1 mp -105.21 148.02 27.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -107.37 112.16 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 41' ' ' GLN . 8.3 tp -95.11 97.73 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 8' ' ' LEU . 74.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -89.28 149.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.74 167.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 m-85 -117.67 99.24 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 13' ' ' ILE . 2.1 p -89.37 147.06 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.82 156.93 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.71 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.92 162.33 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.45 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.624 HD11 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.23 -6.53 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -98.45 -14.94 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 1.16 55.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.67 42.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -103.17 121.74 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.71 HD13 HG23 ' A' ' 7' ' ' THR . 3.6 mp -125.36 120.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.532 HG23 ' CD1' ' A' ' 4' ' ' PHE . 14.3 m -97.05 145.25 26.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD12 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.26 130.71 33.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.3 pt-20 -100.38 107.58 19.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG13 HD12 ' A' ' 15' ' ' LEU . 15.1 m -129.83 -178.56 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -107.39 160.03 28.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -13.64 21.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.567 1.825 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.37 -22.7 22.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 109.986 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 144.39 54.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 26' ' ' VAL . 76.0 p -85.66 170.2 12.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.537 ' CD1' HD13 ' A' ' 50' ' ' LEU . 23.1 mm -58.04 -47.18 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.9 -39.99 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.09 -42.34 99.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 22' ' ' THR . 9.2 t -63.73 -48.82 84.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.67 -40.85 89.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.81 -40.31 96.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.2 mt -62.8 -36.53 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.1 tt0 -65.44 -60.51 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -30.76 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 10.3 tttt -75.01 -74.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.17 -59.71 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.37 34.43 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.0 mt -89.66 142.62 29.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 143.03 28.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.02 -25.84 11.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.33 -33.5 74.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.12 14.47 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.525 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.3 mm-40 -93.18 124.95 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.58 97.26 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.6 mt -97.17 120.28 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.93 142.04 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -154.74 130.76 10.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.76 20.86 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.369 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -11.29 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -103.51 139.01 39.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 0.701 . . . . 0.0 109.325 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -82.7 140.35 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 23' ' ' ILE . 10.7 mt -73.65 121.46 20.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.73 111.73 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 p-10 -47.1 102.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.21 -16.27 1.9 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -96.83 156.64 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.99 146.06 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 61' ' ' ILE . 4.0 mt -52.35 -31.92 35.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -17.08 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 36.6 m-85 -99.0 -8.63 25.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.68 50.89 14.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -79.57 140.77 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.81 149.48 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -50.93 141.53 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.34 46.38 26.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 171.63 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.69 104.35 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.9 mp -109.43 143.31 39.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.47 112.0 24.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.626 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -95.46 101.33 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.624 HG13 HD11 ' A' ' 8' ' ' LEU . 91.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.54 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.489 0.185 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 37.6 tt0 -92.95 149.55 21.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.86 171.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.74 101.63 8.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.449 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -89.02 139.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.72 28.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -99.88 169.38 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.872 HD13 HG13 ' A' ' 70' ' ' VAL . 12.2 tp -64.25 -12.32 40.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 1.1 t -100.63 15.49 27.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.03 63.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 8.3 tttt -74.46 145.94 43.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -103.12 114.2 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.92 118.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 4' ' ' PHE . 17.0 m -96.01 145.3 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.21 130.42 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -97.61 108.06 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 15' ' ' LEU . 20.2 m -130.94 -178.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.26 159.27 30.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -15.16 21.1 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -23.33 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.8 146.72 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -85.53 171.72 11.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.672 HG22 ' HE3' ' A' ' 27' ' ' LYS . 17.6 mm -60.98 -44.17 97.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -31.59 71.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.53 -49.45 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.783 HG21 HD11 ' A' ' 56' ' ' LEU . 59.4 t -63.73 -38.61 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HE3' HG22 ' A' ' 23' ' ' ILE . 3.7 mtmp? -66.38 -41.77 88.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.95 91.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.92 -45.31 89.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' GLU . 17.7 mt -63.99 -35.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.2 tt0 -65.36 -58.26 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -54.5 -31.61 56.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -75.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ILE . 12.2 mm-40 -62.71 -63.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.36 -1.05 6.54 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.514 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.2 mt -78.72 136.82 58.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 156.78 42.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -13.61 21.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.43 -50.04 49.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.0 22.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.922 ' OE1' HD21 ' A' ' 43' ' ' LEU . 5.1 mm-40 -93.6 128.03 39.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -133.72 92.91 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.3 mt -97.18 117.64 31.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.7 140.2 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -151.5 129.23 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 23.87 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.206 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 -4.41 83.42 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -106.46 133.65 50.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.46 138.42 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 45' ' ' PHE . 6.6 mt -78.44 115.34 18.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.09 120.62 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -48.1 105.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.61 -13.46 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -96.7 156.12 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 p -98.52 151.58 20.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.783 HD11 HG21 ' A' ' 26' ' ' VAL . 25.4 mt -61.06 -38.68 87.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -63.52 -37.03 85.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.18 -19.43 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -98.37 -2.89 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 54.72 50.02 16.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.379 1.049 . . . . 0.0 109.357 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 63.8 mt -83.02 138.22 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.93 153.22 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.4 142.54 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.7 mt-10 53.67 46.11 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 171.17 14.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.47 103.37 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.22 139.6 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.52 107.64 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -95.92 101.48 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 8' ' ' LEU . 69.8 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.482 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 14.4 ptp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.479 0.181 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 34.0 tt0 -90.97 149.08 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.644 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -141.85 167.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.524 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.2 m-85 -118.83 102.2 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.21 139.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -106.97 146.04 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.574 ' OG1' HD13 ' A' ' 13' ' ' ILE . 20.9 m -99.9 170.53 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.3 tp -63.77 -13.17 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 9' ' ' THR . 43.8 m -100.67 28.51 5.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.58 4.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -82.07 147.89 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 m -103.17 118.8 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' OG1' ' A' ' 7' ' ' THR . 4.1 mp -125.14 115.13 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.524 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.5 m -95.74 140.02 31.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -137.93 128.92 27.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.17 120.35 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.52 HG11 HG13 ' A' ' 26' ' ' VAL . 17.9 m -140.13 178.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.07 161.62 22.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -15.02 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -24.33 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.81 144.43 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.2 p -85.58 170.75 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 23' ' ' ILE . 8.3 mm -62.57 -42.23 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -35.12 76.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.6 73.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 56' ' ' LEU . 43.5 t -63.85 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -65.37 -42.08 93.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.8 85.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.2 mttp -63.85 -47.85 79.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.594 HG12 HD13 ' A' ' 15' ' ' LEU . 31.3 mt -64.01 -32.76 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.0 tt0 -65.24 -55.47 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -30.53 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -74.86 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.15 -61.68 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.42 -2.37 6.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.777 HG23 ' HD2' ' A' ' 37' ' ' PRO . 22.4 mt -78.75 143.31 62.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.777 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.92 154.88 43.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.03 -23.41 13.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -68.36 -32.23 72.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -99.29 13.74 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 17.9 mt-30 -93.56 134.56 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.619 ' HG2' HD11 ' A' ' 44' ' ' ILE . 2.6 ttm-85 -133.74 93.47 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.708 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.6 mt -97.05 120.0 36.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' ARG . 8.5 mm -107.77 141.09 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -151.0 114.65 4.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 42.81 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.47 9.36 43.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 123.75 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -78.97 130.84 35.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 43' ' ' LEU . 22.8 mt -75.08 113.5 12.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 1.8 mp0 -89.09 113.78 24.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -46.93 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.08 -13.64 2.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ILE . 4.3 mpt_? -96.72 154.78 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -97.18 144.75 26.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 10.9 mt -55.5 -34.92 65.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 t -63.11 -41.14 99.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.28 61.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 8.2 m-85 -99.71 -15.63 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 65.02 64.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 59' ' ' TYR . 1.2 mp -88.99 140.01 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -95.85 156.69 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.18 130.24 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 54.44 54.32 9.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -72.81 169.36 16.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.16 103.2 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.11 143.29 38.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.89 105.82 16.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.638 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 tp -94.65 95.86 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 4.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' VAL . 8.5 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.177 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -89.18 149.26 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -139.03 161.69 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.67 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.5 m-85 -118.85 102.41 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.8 148.47 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.72 153.01 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.745 ' OG1' HD13 ' A' ' 13' ' ' ILE . 2.6 m -100.93 167.53 10.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.608 1.192 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -64.23 -17.24 63.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.1 t -98.77 6.03 47.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 24.04 66.92 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -82.15 154.94 25.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.566 ' C ' HD12 ' A' ' 13' ' ' ILE . 21.1 m -103.74 118.04 35.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' OG1' ' A' ' 7' ' ' THR . 2.7 mp -125.29 111.14 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.67 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -95.74 139.36 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.25 134.58 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -96.17 111.92 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 26' ' ' VAL . 35.3 m -129.84 176.82 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -107.48 161.33 23.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -14.1 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.761 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -89.46 -25.14 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.77 141.69 57.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.4 p -86.04 175.12 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 23' ' ' ILE . 28.9 mm -60.04 -47.93 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 1.8 pt-20 -56.71 -29.88 62.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -71.47 -46.96 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 17' ' ' VAL . 22.0 t -64.05 -37.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -66.15 -49.94 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.8 mttt -66.97 -45.38 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 HD22 ' A' ' 15' ' ' LEU . 35.1 mt -62.37 -34.21 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLY . 28.5 tt0 -65.65 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -28.74 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -79.9 -58.49 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.38 32.7 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 37' ' ' PRO . 27.6 mm -90.0 143.04 29.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.02 147.37 33.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.01 -31.71 5.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -37.73 79.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -91.39 8.51 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -93.58 132.29 38.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.85 99.15 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.5 mt -97.78 118.06 33.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.83 142.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 t80 -150.97 113.43 4.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.87 40.72 32.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 6.17 52.43 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -104.45 122.92 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.08 126.04 30.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 43' ' ' LEU . 16.2 mt -73.17 112.61 9.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.08 116.19 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -47.17 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.87 -10.88 3.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -96.42 153.9 17.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.74 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 p -98.67 141.95 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mt -56.36 -34.75 66.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -62.8 -41.65 99.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -17.75 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 61' ' ' ILE . 17.0 m-85 -98.5 -13.73 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.24 64.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 56' ' ' LEU . 1.2 mt -88.58 140.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.59 152.41 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.39 131.01 24.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.85 55.36 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -75.52 171.03 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.23 100.75 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.6 mp -108.19 147.0 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.45 115.86 30.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -101.46 94.24 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 9.1 ptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.538 0.208 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.59 154.3 20.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.529 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -148.46 164.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.79 101.87 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.1 p -91.19 145.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.98 24.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.9 p -99.74 166.59 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD21 HG23 ' A' ' 70' ' ' VAL . 2.6 mt -65.35 -8.7 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -99.36 -5.96 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.53 7.27 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -73.7 150.52 41.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 m -102.88 120.96 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 5' ' ' VAL . 61.8 mt -125.09 118.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.705 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.5 m -95.89 141.35 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.42 134.87 34.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -99.19 119.81 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD23 ' A' ' 15' ' ' LEU . 27.8 m -140.08 177.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.33 160.85 25.04 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.94 21.24 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.604 1.844 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -89.29 -25.29 21.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.7 144.16 57.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 p -85.49 171.28 11.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 HD13 ' A' ' 50' ' ' LEU . 4.8 mm -61.18 -39.3 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -35.73 81.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -66.63 -47.27 73.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 56' ' ' LEU . 48.2 t -63.84 -41.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.5 mtmt -61.96 -48.54 79.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.16 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.5 mttm -64.15 -41.94 96.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 27' ' ' LYS . 10.8 mt -62.82 -38.03 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.3 tt0 -65.38 -58.84 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 -31.03 14.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -72.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.74 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.64 19.84 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.4 mt -89.18 143.14 30.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.95 154.51 42.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.97 -27.52 10.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -38.31 79.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -91.14 4.33 52.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.8 tt0 -93.35 127.99 39.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.55 105.71 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.731 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.7 mt -97.66 122.49 40.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -107.81 132.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.0 129.52 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.3 20.27 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.24 50.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.32 140.87 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -82.06 142.85 31.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.3 mt -76.48 122.15 24.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.18 114.36 23.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -46.83 104.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.11 -13.32 2.82 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 145.12 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 144.52 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -54.79 -31.91 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.8 t -62.97 -46.92 85.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.072 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -15.54 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.497 ' CB ' HD12 ' A' ' 61' ' ' ILE . 3.6 m-85 -98.57 -12.37 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 57.11 65.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.497 HD12 ' CB ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -85.87 145.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -94.76 153.87 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 125.33 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 54.65 53.28 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -69.82 166.6 19.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -101.68 103.51 14.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.11 144.0 37.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -107.1 116.7 32.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 0.0 109.644 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD11 ' HG3' ' A' ' 41' ' ' GLN . 10.8 tp -100.0 95.49 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 HD21 ' A' ' 8' ' ' LEU . 8.8 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.9 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.45 0.167 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.75 147.9 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.468 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.71 162.16 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.98 110.44 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 67' ' ' LEU . 3.9 p -102.33 139.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -107.49 145.24 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.73 HG23 HD13 ' A' ' 13' ' ' ILE . 26.3 p -99.79 173.25 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 70' ' ' VAL . 11.4 tp -65.22 -9.59 24.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.9 m -99.18 22.04 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.17 8.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.2 146.99 27.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 13' ' ' ILE . 8.6 m -103.28 121.99 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.73 HD13 HG23 ' A' ' 7' ' ' THR . 4.2 mp -125.08 118.93 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.4 m -95.65 143.66 26.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.512 HD11 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -138.1 125.47 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.68 114.92 26.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 HG13 ' A' ' 26' ' ' VAL . 29.8 m -138.8 -175.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt-10 -107.25 159.26 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.62 21.37 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -89.21 -24.44 22.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.06 144.07 56.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.5 p -85.65 171.42 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.461 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD13 ' A' ' 50' ' ' LEU . 40.1 mm -57.73 -57.0 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -36.61 14.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -44.31 87.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 22' ' ' THR . 4.1 t -63.19 -49.07 84.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -59.51 -38.91 82.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.41 95.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.64 -41.43 98.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' LYS . 12.8 mt -62.74 -35.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.1 tt0 -65.32 -63.07 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -29.28 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 15' ' ' LEU . 1.1 mtpt -75.93 -76.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.98 -58.22 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.7 21.46 2.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 41' ' ' GLN . 9.0 mt -89.3 138.14 28.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 151.61 40.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -31.2 6.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -68.27 -24.96 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -93.5 -41.48 9.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 pt20 -82.76 137.51 34.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.561 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.68 113.97 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.737 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -99.44 121.6 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.16 153.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -158.25 130.21 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 20.39 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.05 -6.69 80.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.74 137.05 44.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 0.817 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -79.16 135.56 36.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 43' ' ' LEU . 27.6 mt -68.98 114.99 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -89.1 115.79 26.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.228 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -47.22 105.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.08 -12.67 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.45 154.66 17.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 0.795 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -98.99 144.11 28.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 12.6 mt -53.15 -36.57 61.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 t -63.05 -41.89 99.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.4 58.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.9 m-85 -98.19 -8.53 27.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.6 59.68 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.2 mt -81.37 138.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -98.23 158.65 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -50.53 132.73 25.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 54.49 55.25 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.4 p -74.64 151.73 39.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -97.23 109.92 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mp -109.17 146.99 33.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 110.33 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tp -98.8 103.74 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 8' ' ' LEU . 2.5 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptp . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -86.47 150.76 24.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.53 161.34 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 14' ' ' THR . 8.7 m-85 -118.94 98.88 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 69' ' ' LEU . 2.6 p -86.27 137.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.03 145.45 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -99.84 169.89 8.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.07 -12.83 42.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 9' ' ' THR . 28.0 m -100.7 28.76 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.03 23.13 5.25 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -83.16 145.8 29.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 0.81 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -103.4 118.63 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.874 HD13 ' OE2' ' A' ' 34' ' ' GLU . 84.9 mt -124.9 117.16 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.708 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.6 m -96.18 138.83 33.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.491 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 30' ' ' ILE . 9.4 tp -138.35 134.93 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.393 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -97.46 118.29 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.759 HG11 HG13 ' A' ' 26' ' ' VAL . 13.0 m -138.71 -178.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.56 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -107.49 158.87 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.338 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.35 21.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -89.31 -23.66 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.088 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.96 142.89 54.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.2 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.5 p -85.97 167.1 15.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.78 -28.71 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 1.7 tt0 -67.37 -41.11 85.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.92 -46.42 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.759 HG13 HG11 ' A' ' 17' ' ' VAL . 21.0 t -64.01 -41.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' CD ' HG22 ' A' ' 23' ' ' ILE . 33.2 mtpt -62.53 -45.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.59 78.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.7 mt -63.29 -34.89 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.2 tt0 -65.66 -60.94 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -32.14 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.387 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -74.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.874 ' OE2' HD13 ' A' ' 13' ' ' ILE . 3.1 mt-10 -66.23 -63.65 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 126.47 4.5 6.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.5 mt -78.4 143.06 63.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 -30.92 6.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.29 -38.22 81.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -90.78 12.1 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 4.0 mt-30 -93.62 139.49 30.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -133.89 88.93 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HB2' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -97.3 121.59 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.226 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HD11 HH11 ' A' ' 42' ' ' ARG . 18.2 mt -111.27 142.42 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -157.23 126.57 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 13.0 8.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 3.5 78.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -110.0 151.07 27.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -83.91 137.07 33.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 23' ' ' ILE . 41.4 mt -79.06 112.28 16.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -89.49 136.5 32.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 32.0 m-20 -52.1 -21.35 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.27 14.59 60.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -107.63 142.32 37.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 p -99.91 150.4 22.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 26' ' ' VAL . 8.0 mt -62.58 -38.99 92.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -63.22 -37.2 86.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.069 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -14.6 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.726 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.8 m-85 -106.14 -9.39 16.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 56.32 56.39 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.726 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -78.26 143.33 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.0 155.82 16.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 126.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 12.7 mp0 55.01 53.51 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.9 m -75.59 170.35 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.938 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -100.37 110.17 22.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.07 146.27 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.98 103.96 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.579 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.3 tp -97.98 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.51 0.195 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -88.87 149.44 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -147.12 162.82 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -118.87 104.47 10.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 69' ' ' LEU . 2.4 p -93.69 148.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.8 152.61 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -100.11 166.57 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 70' ' ' VAL . 14.3 tp -64.09 -12.88 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 7.6 t -100.85 7.85 43.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.08 23.83 75.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 35.1 tttp -84.07 152.14 24.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.876 ' C ' HD12 ' A' ' 13' ' ' ILE . 19.3 m -103.36 116.55 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.876 HD12 ' C ' ' A' ' 12' ' ' THR . 1.8 mp -125.04 117.34 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.4 m -97.92 143.7 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.1 130.91 29.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -100.92 114.96 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.202 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -135.7 -178.21 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -106.07 159.22 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.95 21.35 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -89.12 -25.27 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.93 145.55 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 p -85.35 169.15 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.381 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.2 mm -59.48 -36.84 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.65 -36.53 84.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -44.44 76.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' THR . 13.0 t -63.87 -42.99 97.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -63.66 -44.4 93.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.88 78.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.59 -45.47 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.33 -31.05 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 23.4 tt0 -65.06 -57.9 7.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -30.09 68.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -73.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.74 -7.25 5.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.2 mt -78.96 137.32 57.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.96 157.27 43.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.35 12.96 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.34 -33.08 73.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.18 7.41 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.82 133.23 36.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -133.98 97.45 3.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.711 ' HB2' HD12 ' A' ' 50' ' ' LEU . 8.5 mt -97.53 124.27 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -105.03 141.42 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -154.43 126.56 7.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 15.85 6.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.8 -7.45 81.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.578 1.174 . . . . 0.0 110.997 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -106.93 149.17 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.364 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -79.04 139.73 38.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 45' ' ' PHE . 62.4 mt -69.36 116.86 10.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.29 126.74 35.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -47.87 -50.29 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.3 -17.8 33.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -97.19 134.23 40.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.743 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 22' ' ' THR . 16.8 p -96.86 165.18 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 26' ' ' VAL . 4.2 mt -61.89 -40.25 94.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -63.06 -43.98 97.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -15.89 59.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.1 m-85 -97.89 -6.87 31.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 2.7 t-20 55.19 52.45 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 83.6 mt -78.99 146.89 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 19.6 mm-40 -97.29 151.09 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 133.46 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 50.87 13.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 61' ' ' ILE . 7.7 p -74.8 158.34 33.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -96.81 107.29 19.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -109.17 149.48 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.2 110.71 22.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.691 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 43' ' ' LEU . 6.6 tp -95.03 96.62 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 HD13 ' A' ' 8' ' ' LEU . 98.1 t -114.06 158.38 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.55 -174.94 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.12 147.09 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -80.05 -72.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' CG ' ' HG ' ' A' ' 73' ' ' LEU . 38.3 mtt180 -86.2 -149.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.73 -94.79 0.31 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.5 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.438 0.161 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -85.34 151.28 24.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -142.35 158.93 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.218 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 4.9 m-85 -118.94 98.33 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.8 p -86.35 144.95 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.52 149.93 28.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 m -99.16 165.99 11.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 70' ' ' VAL . 14.3 tp -63.9 -13.06 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -100.55 9.47 42.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.36 22.31 78.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.07 147.65 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.8 m -103.56 116.38 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.675 ' O ' HG12 ' A' ' 5' ' ' VAL . 1.8 mm -125.24 114.86 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.513 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -96.61 142.22 28.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.371 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.857 HD23 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -138.12 133.84 33.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 116.19 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.857 HG13 HD23 ' A' ' 15' ' ' LEU . 33.9 m -138.18 178.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 3.6 mt-10 -107.0 157.65 34.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.9 20.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -89.05 -16.38 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.56 146.49 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 26' ' ' VAL . 13.1 p -85.4 167.76 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -62.85 -29.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.35 -41.08 77.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.36 -44.3 88.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 22' ' ' THR . 29.8 t -63.72 -45.26 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 43' ' ' LEU . 6.1 mtpt -63.52 -35.37 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.82 93.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HB3' HD21 ' A' ' 15' ' ' LEU . 3.0 mttp -63.98 -45.22 90.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 27' ' ' LYS . 11.7 mt -64.73 -33.19 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.9 tt0 -65.2 -54.99 21.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -29.08 69.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -70.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -62.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.3 -6.8 6.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 37' ' ' PRO . 81.4 mt -80.03 140.76 53.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.01 158.77 41.99 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.496 1.787 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.14 -24.64 12.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -35.36 77.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.42 2.07 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.05 133.29 36.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.96 97.34 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -97.83 123.95 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.395 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.03 139.55 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -151.12 123.84 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 17.58 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.3 -6.55 82.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -104.05 138.94 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.253 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -82.05 135.65 35.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD21 ' HB2' ' A' ' 45' ' ' PHE . 11.2 mt -71.67 110.28 6.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -88.73 117.72 27.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.41 104.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.58 -14.24 2.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -96.82 145.9 25.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.257 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 p -90.45 151.89 21.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 26' ' ' VAL . 33.4 mt -60.85 -40.79 94.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.21 -34.97 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -20.2 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 42.6 m-85 -98.54 -2.43 38.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 54.97 50.73 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 45' ' ' PHE . 96.9 mt -78.81 144.49 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.52 152.63 22.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.41 146.23 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 27.3 tt0 54.1 44.75 28.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 p -75.17 151.79 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -102.91 107.85 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 50' ' ' LEU . 6.4 mp -109.25 150.56 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -107.12 109.7 21.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.88 103.44 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -113.69 152.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.97 170.67 11.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.13 173.16 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -60.73 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 -153.5 0.29 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.44 -177.69 14.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.8 ptp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.489 0.185 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -90.4 150.4 21.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.559 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -141.37 159.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.98 101.18 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.5 p -90.64 144.22 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.96 153.96 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 11' ' ' LYS . 30.9 p -99.92 164.2 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -6.49 13.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.5 m -98.68 -24.93 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.84 2.94 25.25 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 7' ' ' THR . 7.8 tptm -73.5 147.26 44.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 0.7 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 52.6 m -103.07 124.6 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.505 ' O ' HG12 ' A' ' 5' ' ' VAL . 78.3 mt -125.15 115.11 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.83 139.71 31.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.15 134.14 34.21 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -99.06 116.49 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.2 m -135.6 176.38 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -100.81 153.67 37.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.85 21.3 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.1 p -89.32 -22.64 22.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.74 148.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.6 p -85.53 170.37 12.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 50' ' ' LEU . 6.8 mm -64.31 -27.79 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.31 -45.43 76.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -65.17 -41.58 94.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.644 HG21 HD11 ' A' ' 56' ' ' LEU . 60.4 t -63.67 -46.72 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.8 mtpt -62.88 -39.8 95.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.247 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.05 90.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -44.29 92.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 27' ' ' LYS . 13.9 mt -64.25 -34.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.1 tt0 -65.19 -55.97 15.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -26.63 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -73.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.4 -59.74 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.07 -5.73 5.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.4 mt -79.0 142.61 60.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.98 159.49 41.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.96 -29.76 7.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 66.3 mm-40 -90.83 2.08 56.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 tt0 -93.38 135.41 34.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.61 95.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -97.96 125.8 43.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.33 145.79 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.5 t80 -151.68 123.34 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 20.27 8.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.19 -13.18 67.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.83 132.78 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -78.92 140.34 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 7.1 mt -77.6 116.87 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.95 118.62 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.01 104.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.96 -15.82 1.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.1 mmt180 -96.51 145.07 26.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -88.87 144.17 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 26' ' ' VAL . 8.5 mt -53.29 -40.96 65.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -62.31 -33.77 75.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -20.96 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 50.6 m-85 -97.97 -5.87 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.184 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.73 55.08 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 4.4 mt -79.06 147.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.57 154.73 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 137.43 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 54.84 51.9 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 p -75.06 156.0 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -101.68 104.74 15.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.6 mp -108.9 146.37 33.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 116.36 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.56 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 HD21 ' A' ' 43' ' ' LEU . 7.2 tp -96.19 120.09 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -114.1 137.3 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -87.01 -171.63 3.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -87.91 153.71 21.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -66.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -149.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.65 -90.38 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.5 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -87.93 149.58 23.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.547 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.7 pp -140.23 157.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.706 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.83 102.3 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.7 p -88.5 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -107.42 150.25 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.424 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 1.4 m -103.86 160.12 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.95 -20.63 16.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 6.4 t -99.6 24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.41 27.95 58.76 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -83.23 149.11 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.259 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -103.31 116.52 32.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 5' ' ' VAL . 23.5 mt -125.12 113.01 33.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -95.87 140.59 30.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.28 133.98 33.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.31 115.27 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG11 HG13 ' A' ' 26' ' ' VAL . 32.9 m -135.67 -178.32 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 153.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.42 21.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -89.09 -25.33 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -66.08 148.78 51.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -85.49 170.18 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 27' ' ' LYS . 20.1 mm -62.79 -30.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.23 -40.62 86.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -66.23 -46.9 75.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 56' ' ' LEU . 58.8 t -63.86 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 23' ' ' ILE . 10.0 mttt -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.27 95.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -64.08 -45.76 87.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.48 -35.2 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.2 tt0 -65.11 -53.08 50.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -29.23 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -74.84 -73.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.86 -60.91 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.45 -5.23 6.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.4 mp -81.42 142.55 50.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 164.19 33.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -31.73 6.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.07 -33.24 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 78.1 mm-40 -91.37 -7.03 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.528 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -93.04 140.36 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.82 104.36 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -97.71 117.32 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -103.76 136.23 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -151.09 127.97 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.28 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.94 51.59 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.576 1.173 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -101.0 136.39 40.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -84.0 142.51 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 45' ' ' PHE . 5.6 mt -76.4 117.34 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.91 116.78 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -47.17 104.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.96 -14.22 2.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -96.64 156.73 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -96.27 144.31 26.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -56.29 -36.91 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -63.14 -37.29 86.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.03 -19.53 65.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -97.81 -1.47 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 54.63 56.02 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 45' ' ' PHE . 9.2 mt -82.71 136.0 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -95.86 156.28 16.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 130.64 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 54.87 55.18 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -74.89 169.09 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.12 102.69 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 67' ' ' LEU . 2.3 mp -109.09 145.34 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 121.22 44.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -102.23 97.71 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 42' ' ' ARG . 5.5 p -114.17 168.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.45 ' H ' HG22 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -80.9 152.97 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.64 171.46 9.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 110.22 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.9 -66.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -90.15 -150.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.19 -103.46 0.9 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -91.24 159.28 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.3 pp -138.85 150.77 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CD1' HG23 ' A' ' 14' ' ' THR . 11.9 m-85 -118.94 103.11 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 67' ' ' LEU . 2.5 p -98.03 151.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.93 143.75 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -99.8 168.46 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -53.62 -27.68 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 11' ' ' LYS . 2.9 t -99.73 44.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.4 31.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HB2' HG23 ' A' ' 9' ' ' THR . 8.5 tttt -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -101.56 113.76 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mt -120.33 112.87 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.667 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.9 m -95.82 139.92 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -138.19 133.97 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -94.7 117.14 29.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG12 ' HD3' ' A' ' 29' ' ' LYS . 23.0 m -140.25 -179.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.6 mm-40 -107.14 154.2 40.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.19 21.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.624 1.855 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -22.55 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.22 150.14 48.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 p -85.22 171.51 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.45 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG22 ' HD2' ' A' ' 27' ' ' LYS . 22.2 mm -63.84 -34.04 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -37.88 84.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -66.27 -47.37 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.946 HG21 HD11 ' A' ' 56' ' ' LEU . 60.0 t -63.79 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG22 ' A' ' 23' ' ' ILE . 14.2 mttp -65.16 -40.75 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.04 95.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -63.87 -43.69 95.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.66 -34.0 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 41.9 tt0 -65.14 -59.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.95 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.9 tptt -75.41 -74.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.22 -60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.71 -4.13 5.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.644 HG23 ' HD2' ' A' ' 37' ' ' PRO . 18.4 mt -78.87 140.25 58.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.96 155.53 43.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.99 -22.13 15.15 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.04 -34.58 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -101.06 7.95 43.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.567 ' HG2' HD21 ' A' ' 43' ' ' LEU . 4.1 tt0 -93.44 131.55 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.96 98.5 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.567 HD21 ' HG2' ' A' ' 41' ' ' GLN . 4.9 mt -97.52 122.03 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -105.22 141.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 4.8 t80 -156.17 124.27 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.49 22.51 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.56 -2.68 86.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -107.94 136.8 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 0.715 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.89 137.41 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD11 HD23 ' A' ' 67' ' ' LEU . 6.2 mt -71.4 114.81 9.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 112.25 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.96 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.63 -15.12 2.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.9 mtt-85 -96.9 158.33 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -93.64 145.66 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.946 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -53.51 -40.31 65.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.0 t -62.33 -31.36 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -17.79 63.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -105.14 3.58 30.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t30 55.14 54.8 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 22.0 mt -84.79 131.77 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.08 159.78 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 129.91 22.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 1.3 mp0 54.82 54.9 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.407 ' OG ' HG23 ' A' ' 61' ' ' ILE . 5.9 m -73.87 167.66 21.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -106.19 100.67 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.2 mp -108.38 150.5 27.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.02 114.24 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.17 100.88 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.6 t -114.09 154.6 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.93 177.3 7.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.085 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.01 164.49 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -65.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.11 -150.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.0 -106.58 1.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.69 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 7.9 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.512 0.196 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -89.9 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -143.91 163.77 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.694 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.62 105.02 11.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.613 1.195 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.786 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.4 p -92.98 148.11 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.35 145.84 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -99.68 160.46 14.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.97 -9.41 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 97.6 m -98.95 9.46 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.14 60.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 17.8 mtmt -73.33 152.6 40.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -103.71 126.6 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.786 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.7 mm -125.19 114.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.1 m -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.08 129.42 27.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -98.48 107.3 19.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 15' ' ' LEU . 31.7 m -130.11 -175.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -107.16 158.82 32.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.33 21.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.08 -23.78 22.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.93 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 145.57 56.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 26' ' ' VAL . 49.0 p -85.17 170.91 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.459 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 50' ' ' LEU . 32.6 mm -58.0 -51.38 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -33.78 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.58 -44.34 78.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 22' ' ' THR . 3.4 t -63.65 -46.86 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 43' ' ' LEU . 22.9 mtmt -64.07 -35.18 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -64.41 -44.36 91.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.6 mt -63.93 -35.37 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 44.5 tt0 -65.36 -54.25 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.36 -30.58 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.5 mttt -79.73 -71.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.54 -63.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.02 -1.31 7.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.3 mt -81.89 138.87 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -18.98 18.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.16 -43.68 77.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.97 0.56 57.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.675 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -93.27 133.54 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -134.2 98.22 4.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.675 HD21 ' CG ' ' A' ' 41' ' ' GLN . 2.0 mt -98.09 119.89 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.79 148.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.652 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -151.16 127.43 10.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.81 21.67 3.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 -9.58 76.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 132.85 44.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -78.98 134.06 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 45' ' ' PHE . 14.6 mt -71.97 113.25 8.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.83 115.33 26.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.05 105.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -12.42 2.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.443 1.089 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -96.51 153.17 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -94.02 147.1 23.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 26' ' ' VAL . 24.1 mt -59.52 -37.02 77.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 t -63.08 -38.64 92.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -17.78 63.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -100.58 1.16 40.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.575 1.172 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 54.96 49.26 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 45.6 mt -78.84 128.24 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -94.69 156.03 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.07 132.23 23.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 56.84 55.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -75.06 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -106.76 98.34 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 5.4 mp -106.37 145.57 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 115.78 30.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.1 tp -98.57 108.64 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.22 152.47 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -178.91 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 171.82 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.08 -65.54 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -156.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.39 113.76 2.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -87.31 153.42 21.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -141.94 154.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.8 m-85 -118.88 97.28 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.38 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -106.96 151.12 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 13' ' ' ILE . 3.2 m -103.5 168.93 8.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 70' ' ' VAL . 8.3 tp -63.68 -13.16 40.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 9' ' ' THR . 82.9 m -100.58 24.29 9.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.85 18.14 10.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -81.2 152.26 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -103.11 122.29 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 7' ' ' THR . 71.3 mt -124.85 112.5 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.674 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.4 m -98.51 139.01 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.132 . . . . 0.0 110.46 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.3 135.44 35.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -97.4 119.7 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 HD23 ' A' ' 15' ' ' LEU . 20.5 m -139.63 -179.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.22 158.87 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.57 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -89.29 -25.05 21.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.15 142.88 57.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.51 173.41 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 50' ' ' LEU . 11.4 mm -57.77 -62.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -43.75 -35.97 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.316 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -65.99 -45.77 80.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 22' ' ' THR . 21.9 t -63.42 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 30' ' ' ILE . 36.5 mtmt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.75 88.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.774 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.84 -39.29 93.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -62.8 -37.18 78.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.3 tt0 -65.22 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.42 -28.76 13.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -75.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -57.81 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.26 32.58 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.4 mt -89.81 142.56 29.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 144.38 30.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.05 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -28.6 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.23 4.06 41.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.596 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.04 129.75 38.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.86 99.89 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.596 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.4 mt -97.88 116.04 29.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.63 140.84 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 10.1 t80 -153.91 124.32 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.19 22.23 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.78 -16.08 48.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.04 133.42 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.753 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.09 136.97 36.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 59' ' ' TYR . 4.3 mt -79.28 110.03 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -89.42 134.38 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.11 110.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.77 -18.03 2.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -96.69 148.27 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.14 151.78 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD11 HG21 ' A' ' 26' ' ' VAL . 9.6 mt -62.03 -41.3 97.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -62.32 -36.52 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -20.72 60.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 50' ' ' LEU . 33.1 m-85 -101.02 -5.3 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 55.14 58.71 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 3.4 mt -78.94 143.39 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -95.62 156.67 16.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 131.67 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 55.8 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.417 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.0 p -75.01 158.43 33.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.057 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.04 103.63 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.5 mp -109.1 149.92 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.11 110.53 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HB2' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -99.23 96.5 7.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -114.0 164.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.9 mp -83.63 177.69 8.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 168.05 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.73 -59.9 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.209 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -149.94 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.04 -140.87 4.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' VAL . 21.5 ptp . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.476 0.179 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -90.13 150.29 22.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.654 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -145.77 161.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.9 m-85 -119.06 104.36 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.183 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.1 p -92.06 141.95 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.738 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.97 151.45 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 13' ' ' ILE . 50.1 p -100.49 163.78 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD13 HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.25 -6.11 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -98.58 -20.87 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.87 1.99 34.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -73.35 141.39 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -101.9 123.41 45.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.423 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.0 mt -125.23 121.06 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.5 m -95.7 141.39 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -134.09 130.44 37.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' N ' HD13 ' A' ' 15' ' ' LEU . 2.4 pt-20 -99.76 106.96 18.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.894 HG13 HD12 ' A' ' 15' ' ' LEU . 13.5 m -130.15 178.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.09 160.35 26.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.49 20.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -89.24 -24.02 22.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.23 143.8 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -85.42 160.79 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' ILE . 22.9 mm -57.79 -26.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -44.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.0 -41.69 90.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 56' ' ' LEU . 58.7 t -63.64 -47.46 91.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.85 86.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.07 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HE3' HG12 ' A' ' 17' ' ' VAL . 4.3 mtmm -63.78 -47.86 79.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.02 -34.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.0 tt0 -65.35 -52.64 52.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -29.73 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -68.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -63.48 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.42 -6.25 6.28 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 37' ' ' PRO . 16.8 mt -81.49 141.48 48.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 0.808 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.584 1.834 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.27 8.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' O ' ' CD ' ' A' ' 72' ' ' ARG . 1.1 m-20 -67.41 -32.04 72.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -17.7 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.2 mt-30 -85.95 135.07 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' C ' HD23 ' A' ' 43' ' ' LEU . 10.7 ttt180 -133.7 102.6 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 43' ' ' LEU . 5.8 mt -97.5 119.88 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -102.34 145.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.856 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -155.52 130.53 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 20.2 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -12.6 65.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.34 145.78 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -81.53 141.79 33.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 45' ' ' PHE . 15.1 mt -77.35 110.88 12.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ARG . 17.3 mt-10 -89.13 134.55 33.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -49.46 -45.33 46.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.44 -8.03 43.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mmt180 -103.33 139.0 39.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -99.61 160.3 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.087 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 26' ' ' VAL . 5.3 mt -62.19 -37.86 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -62.1 -41.44 98.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.62 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 13.4 m-85 -99.99 -10.45 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 56.77 61.04 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mp -79.42 147.08 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -105.21 154.58 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 132.11 24.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 54.9 56.05 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 61' ' ' ILE . 3.1 m -75.23 168.87 19.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.738 HG23 ' HE2' ' A' ' 6' ' ' LYS . 4.3 m -107.55 99.58 9.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HB ' ' A' ' 3' ' ' ILE . 7.3 mp -100.51 143.75 30.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 111.01 23.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 2.8 tp -94.0 102.77 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.37 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 71' ' ' LEU . 73.9 t -114.29 161.35 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.593 HD23 HD13 ' A' ' 8' ' ' LEU . 1.1 pp -86.81 155.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -83.68 170.09 14.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.86 -67.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.25 -150.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.51 -153.28 7.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.536 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -92.39 149.53 21.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -138.98 160.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 5.4 m-85 -118.78 98.67 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -87.08 144.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -113.55 146.54 39.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -100.06 169.17 9.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.8 tp -63.82 -13.33 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 ' HB2' ' A' ' 11' ' ' LYS . 3.5 t -100.5 28.67 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.62 23.75 6.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' HB2' HG23 ' A' ' 9' ' ' THR . 9.3 tptt -83.15 146.15 28.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -103.15 117.78 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -125.1 117.06 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.563 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -99.39 140.5 33.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.13 136.81 37.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.7 tt0 -101.18 121.12 41.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.753 HG11 HG13 ' A' ' 26' ' ' VAL . 27.3 m -140.0 176.23 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.71 160.78 25.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.08 21.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 t -89.17 -24.09 22.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.053 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.59 143.03 56.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.58 169.08 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 50' ' ' LEU . 5.5 mm -64.66 -27.9 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -40.38 81.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.55 -44.41 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 HG11 ' A' ' 17' ' ' VAL . 40.5 t -65.98 -37.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 3.2 mttp -66.05 -48.44 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.375 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.47 74.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -64.62 -47.13 79.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.08 -34.32 67.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 43.5 tt0 -65.25 -55.25 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -31.71 66.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -74.94 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.09 -62.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.66 -2.51 6.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.2 mt -78.99 142.77 60.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 152.19 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.02 -28.38 9.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.5 -41.09 80.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 14.34 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 38' ' ' PRO . 11.9 mt-30 -93.6 137.12 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 94.05 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' CD2' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.79 121.48 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -107.23 136.71 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.316 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 6.1 t80 -151.52 121.02 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.21 13.46 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.12 -5.09 68.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -108.01 137.92 45.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -84.52 135.75 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 23' ' ' ILE . 7.2 mt -79.33 103.4 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.392 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 134.05 34.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.71 113.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.78 -23.38 2.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -96.95 136.03 38.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -90.92 156.1 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 26' ' ' VAL . 1.7 mt -61.92 -28.19 69.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -63.09 -52.48 62.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.18 -14.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 12.5 m-85 -97.42 -14.9 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.84 64.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 mt -86.5 139.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.36 151.67 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -50.47 141.58 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 7.0 mt-10 54.61 47.3 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -75.32 150.83 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -100.3 104.17 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 4.0 mp -109.41 145.59 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -107.21 108.67 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.3 tp -101.28 98.67 9.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 9.3 p -114.11 173.86 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.618 ' H ' HG22 ' A' ' 70' ' ' VAL . 1.4 mt -85.08 -173.09 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -92.9 172.36 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.55 -73.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -27.78 21.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . 155.24 -78.03 0.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.569 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.7 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.504 0.193 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -91.13 149.57 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.917 HD13 HD13 ' A' ' 67' ' ' LEU . 2.5 pp -144.49 166.34 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.29 104.87 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -93.35 146.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 144.47 33.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.529 HG22 HD13 ' A' ' 8' ' ' LEU . 1.7 m -99.9 163.54 12.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.52 -21.74 10.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.638 ' N ' HD22 ' A' ' 8' ' ' LEU . 5.1 t -99.71 39.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.6 28.36 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' HG23 ' A' ' 9' ' ' THR . 4.9 ttpt -83.89 149.39 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -101.06 113.68 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 13' ' ' ILE . 22.2 mm -124.28 116.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 4' ' ' PHE . 43.1 m -96.58 148.46 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.05 130.2 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.9 pt-20 -99.04 104.85 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG13 HD12 ' A' ' 15' ' ' LEU . 33.8 m -130.48 -178.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -107.32 158.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -14.21 21.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -25.04 22.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.071 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.12 144.02 56.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.225 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.1 p -85.43 173.25 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 50' ' ' LEU . 22.0 mm -63.0 -33.23 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.57 -37.75 85.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.45 -43.23 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 56' ' ' LEU . 32.5 t -63.98 -47.14 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -58.39 -46.73 85.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.72 76.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.744 ' HD3' HG12 ' A' ' 17' ' ' VAL . 1.5 mttp -65.1 -45.79 83.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.73 -33.18 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' GLY . 64.1 tt0 -65.3 -63.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.51 -29.8 11.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -77.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -77.18 -59.52 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.78 30.07 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 37' ' ' PRO . 17.7 mm -89.56 141.66 28.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.578 0.811 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.95 145.59 31.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.781 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -29.78 7.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.96 -34.35 76.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.94 14.4 29.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.854 ' OE1' HD21 ' A' ' 43' ' ' LEU . 2.8 mm-40 -92.5 126.99 37.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -133.71 94.4 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.854 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.4 mt -97.21 119.21 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -100.82 139.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.6 t80 -151.66 122.41 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.85 25.62 12.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.28 -11.65 60.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 130.71 50.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.41 140.68 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 67' ' ' LEU . 7.1 mt -74.51 119.0 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.06 115.28 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.77 104.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.17 -13.89 2.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -96.63 150.47 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -91.22 143.7 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 26' ' ' VAL . 7.1 mt -55.3 -34.13 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -63.41 -42.63 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -63.38 -17.87 63.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.73 -1.2 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.37 49.09 19.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD13 HD22 ' A' ' 56' ' ' LEU . 8.8 mt -80.66 130.0 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.2 154.43 17.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 134.64 20.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.95 54.81 8.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -75.93 168.2 20.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -106.95 95.72 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 3' ' ' ILE . 3.7 mp -109.15 147.16 32.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.65 114.54 28.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.078 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -93.88 101.02 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 71' ' ' LEU . 72.1 t -114.25 162.33 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -87.12 146.9 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.96 171.69 9.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 110.243 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.45 -71.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -90.34 -150.32 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.94 -135.15 3.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' VAL . 11.9 ptp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.529 0.204 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -94.77 148.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.08 164.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.707 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.85 105.07 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.1 p -94.77 152.16 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.22 148.71 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.5 p -99.88 164.9 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 70' ' ' VAL . 1.6 mt -65.61 -8.8 22.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.2 m -99.36 5.86 46.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.32 0.67 78.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -73.69 149.45 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -103.01 124.93 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.1 mm -125.24 121.32 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.0 m -95.76 142.77 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.13 128.01 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -96.33 110.11 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.588 HG11 HG13 ' A' ' 26' ' ' VAL . 28.3 m -129.83 -178.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.56 160.51 26.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.05 20.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -89.29 -24.9 21.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.5 143.14 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.6 p -85.63 176.78 7.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 50' ' ' LEU . 13.8 mm -65.67 -39.51 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.71 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -47.32 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG21 HD11 ' A' ' 56' ' ' LEU . 47.6 t -63.84 -40.32 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' HG ' ' A' ' 43' ' ' LEU . 73.2 mttt -63.85 -43.48 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.35 -36.1 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' GLY . 59.4 tt0 -65.65 -55.75 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -24.21 55.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -68.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -91.85 -58.03 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.49 33.89 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.9 mt -90.32 142.59 28.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 145.5 31.23 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.0 -28.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.54 -30.37 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 7.1 mm100 -98.24 8.06 45.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 17.6 mt-30 -93.31 128.81 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.59 98.55 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -97.63 115.35 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 mt -103.37 145.58 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.2 t80 -151.88 108.8 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.93 47.83 21.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.43 42.64 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 117.51 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.64 128.69 34.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.9 mt -79.03 112.09 15.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.99 121.55 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -47.42 104.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.64 -15.02 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -96.62 153.38 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 0.72 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 HG22 ' A' ' 22' ' ' THR . 66.6 p -99.11 147.07 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 26' ' ' VAL . 7.4 mt -56.66 -33.6 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -63.05 -43.11 99.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -18.53 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HB2' HD12 ' A' ' 61' ' ' ILE . 10.6 m-85 -97.95 -15.93 19.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.85 66.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -87.19 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.9 151.08 19.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.14 128.75 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 54.87 53.59 10.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -74.72 167.73 21.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.27 102.62 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -109.06 149.15 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 113.13 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 tp -98.08 95.87 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 71' ' ' LEU . 5.8 p -114.05 176.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.66 ' H ' HG22 ' A' ' 70' ' ' VAL . 93.2 mt -82.73 145.12 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -92.83 169.78 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.58 -70.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -90.09 -150.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 0.0 110.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.73 -100.15 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.465 0.174 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.418 ' CG ' HG22 ' A' ' 14' ' ' THR . 15.1 tt0 -91.73 152.2 20.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -138.78 151.67 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 6.5 m-85 -119.15 100.04 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -91.11 147.33 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -106.61 144.61 33.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.65 166.58 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.408 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.15 -25.49 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 9' ' ' THR . 3.5 m -99.48 43.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.91 30.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 3.4 tttm -82.72 149.48 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 m -103.06 110.49 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 5' ' ' VAL . 62.3 mt -119.92 109.81 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 HG22 ' CG ' ' A' ' 2' ' ' GLN . 7.5 m -96.94 142.48 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.33 139.72 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.75 110.62 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' HD23 ' A' ' 15' ' ' LEU . 25.0 m -132.15 177.6 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.2 158.84 32.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -14.21 21.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -25.08 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.13 144.42 57.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.31 166.26 16.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 23' ' ' ILE . 14.2 mm -58.06 -40.07 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.27 -36.82 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.75 -43.02 80.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' THR . 18.6 t -63.75 -45.13 98.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 30' ' ' ILE . 21.4 mttt -61.89 -46.99 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.57 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.48 -42.04 88.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 27' ' ' LYS . 9.1 mt -62.87 -35.22 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -65.45 -60.52 2.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.12 -29.78 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -72.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -88.46 -58.53 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.62 35.72 0.68 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.4 mt -89.51 142.61 29.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.88 142.66 28.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.45 1.763 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.98 -24.89 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -68.31 -37.97 81.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -96.5 14.52 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.379 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.0 mm-40 -93.16 123.81 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.75 97.47 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.652 ' HB2' HD12 ' A' ' 50' ' ' LEU . 5.1 mt -97.67 119.62 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.3 148.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -153.02 116.9 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.89 26.22 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.34 -5.3 84.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.97 123.16 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.29 132.19 35.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 43' ' ' LEU . 7.1 mt -79.21 114.77 18.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -88.92 121.72 31.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -47.35 104.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.55 -16.28 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -96.59 151.35 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.608 0.828 . . . . 0.0 110.356 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 p -94.57 144.58 25.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 61' ' ' ILE . 10.8 mt -53.51 -37.15 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -63.19 -39.78 95.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.54 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -98.29 -9.03 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t30 59.28 63.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.7 mt -88.97 133.16 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -95.33 156.7 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.47 139.29 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 9.8 mt-10 54.81 50.93 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -74.9 148.31 40.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.42 101.58 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.472 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mp -108.83 146.54 33.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -107.12 116.6 32.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.662 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.54 97.72 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.19 171.13 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.97 157.53 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 174.43 7.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.3 -71.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -90.35 -153.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.03 80.77 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.44 0.162 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -87.09 148.77 25.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.0 pp -142.17 161.01 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.58 101.59 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.2 p -90.12 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.86 147.91 29.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.594 ' CG2' HD12 ' A' ' 13' ' ' ILE . 28.7 p -100.17 159.33 15.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 HD13 HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.26 -6.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.8 m -98.63 -3.08 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 -4.06 83.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 7' ' ' THR . 0.9 OUTLIER -73.24 149.08 43.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -103.7 125.83 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.811 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.7 mt -125.33 116.8 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.474 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.1 m -95.79 143.52 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.26 134.42 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.96 120.08 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG11 HG13 ' A' ' 26' ' ' VAL . 25.9 m -140.19 -176.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.38 158.8 32.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.85 20.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -23.38 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.75 148.11 51.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 p -85.7 168.24 14.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.53 HD12 HD13 ' A' ' 50' ' ' LEU . 21.7 mm -61.61 -35.36 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -36.71 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.22 -43.34 86.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.949 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -63.99 -45.19 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.85 98.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.17 90.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -63.8 -41.66 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mt -64.09 -33.7 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 42.5 tt0 -65.19 -54.97 21.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -29.32 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -74.64 -74.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -60.7 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.55 -4.54 5.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.744 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.3 mt -78.63 142.63 61.89 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.744 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 152.52 41.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.02 -19.03 18.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.19 -42.67 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -91.75 4.34 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.7 tt0 -93.17 129.28 39.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.528 ' NH2' HG11 ' A' ' 70' ' ' VAL . 40.1 ttp180 -133.8 103.9 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.749 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.6 mt -97.71 126.75 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -108.51 136.54 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CB ' HD21 ' A' ' 50' ' ' LEU . 8.3 t80 -153.54 129.46 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.12 20.37 12.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 -6.57 72.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.113 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -108.59 147.5 31.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 142.49 35.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 43' ' ' LEU . 48.4 mt -72.12 114.87 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' ARG . 32.0 mt-10 -89.39 125.01 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -47.81 -51.25 23.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.35 -18.31 35.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLU . 26.9 mmt180 -96.71 143.69 27.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -96.62 164.03 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.949 HD11 HG21 ' A' ' 26' ' ' VAL . 15.6 mt -61.63 -41.84 98.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 t -62.02 -33.79 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -99.61 -4.55 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 54.68 56.9 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.549 HD13 HD22 ' A' ' 56' ' ' LEU . 6.8 mt -78.79 140.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.85 149.17 21.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 134.4 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.0 45.28 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -71.72 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.04 107.05 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.583 HD23 HD11 ' A' ' 50' ' ' LEU . 7.4 mp -109.23 145.91 35.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 115.1 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.59 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 7.7 tp -97.26 107.03 19.46 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.614 1.196 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG11 ' NH2' ' A' ' 42' ' ' ARG . 45.2 t -114.19 146.75 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -86.65 157.64 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.87 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.47 -58.63 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 -90.07 -150.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 110.353 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.28 -145.1 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.666 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 21.7 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.07 148.84 21.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -143.28 167.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.696 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.79 99.82 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -84.28 144.3 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.835 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.91 145.66 31.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 HG21 ' CD1' ' A' ' 13' ' ' ILE . 3.0 p -103.2 161.79 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.79 -5.62 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 t -98.37 2.09 47.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 110.337 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.69 -3.52 74.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 7' ' ' THR . 10.2 tttt -73.08 148.43 44.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -103.27 127.87 50.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 7' ' ' THR . 1.2 mp -125.39 119.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.696 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.9 m -96.42 142.73 28.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.763 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -138.04 128.81 26.83 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 107.96 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.763 ' CG1' HD12 ' A' ' 15' ' ' LEU . 21.0 m -132.24 -176.85 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.666 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.35 156.2 38.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -13.61 21.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -25.44 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.02 146.18 55.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 26' ' ' VAL . 31.7 p -85.8 169.67 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.487 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' ILE . 10.9 mm -57.57 -60.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -44.68 -31.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.22 -43.99 60.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 22' ' ' THR . 11.9 t -63.72 -43.35 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -63.85 -43.81 95.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.6 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 17' ' ' VAL . 13.8 tttt -65.0 -41.95 94.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.54 -36.2 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.6 tt0 -65.48 -58.59 5.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -26.88 33.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -74.58 -71.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -89.72 -58.13 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.36 35.93 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.7 mt -89.88 142.53 29.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 142.3 27.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.1 Cg_endo -75.02 -28.81 8.82 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.591 1.837 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -31.03 71.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.1 tp60 -100.72 12.32 37.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.678 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.8 mm-40 -92.83 127.95 38.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 96.68 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -97.67 117.75 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -107.36 142.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE2' HG12 ' A' ' 61' ' ' ILE . 3.2 t80 -152.45 123.52 7.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.88 23.51 9.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.96 -13.09 64.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.96 128.54 46.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.805 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -84.67 131.65 34.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.24 107.05 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.1 137.74 32.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 106.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.2 -15.45 2.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 4.0 mmt180 -96.56 150.43 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.216 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -98.95 143.01 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 18' ' ' GLU . 14.0 mt -54.21 -39.99 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 t -63.43 -34.72 78.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -22.35 63.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 56.6 m-85 -100.71 -3.28 30.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 54.54 57.58 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 3' ' ' ILE . 5.8 mt -79.04 140.38 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -95.16 154.08 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 129.88 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 55.16 51.16 13.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -74.1 169.35 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.835 HG23 ' HE2' ' A' ' 6' ' ' LYS . 1.8 m -104.53 104.18 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -108.62 149.84 28.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 111.96 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.574 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 41' ' ' GLN . 3.8 tp -99.15 95.32 7.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 71' ' ' LEU . 86.1 t -114.1 166.83 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 70' ' ' VAL . 2.6 mm? -86.91 -172.13 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -84.78 157.15 21.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -76.95 -67.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -149.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.367 1.042 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.8 31.44 2.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.079 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 17.5 ptp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.462 0.172 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -88.13 149.9 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.562 ' C ' HD12 ' A' ' 3' ' ' ILE . 1.3 pp -142.45 162.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.403 1.064 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.1 m-85 -118.37 101.06 7.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -90.42 146.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -106.55 148.9 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD12 ' A' ' 13' ' ' ILE . 65.5 p -103.86 160.27 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 70' ' ' VAL . 10.6 tp -66.43 -5.76 12.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.6 m -98.64 3.72 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 -7.44 61.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -72.54 148.67 44.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 m -103.28 128.92 50.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 7' ' ' THR . 92.7 mt -125.16 119.79 56.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.685 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.6 m -96.28 144.09 26.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.32 126.12 22.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.32 116.02 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.783 HG11 HG13 ' A' ' 26' ' ' VAL . 17.3 m -137.8 -179.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.6 mm-40 -107.13 161.13 23.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.363 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -13.44 21.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 p -89.1 -25.65 21.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.62 143.17 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.1 p -85.77 171.05 11.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.483 HG22 ' CD ' ' A' ' 27' ' ' LYS . 33.3 mm -58.42 -42.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.22 -37.37 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -44.87 88.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.783 HG13 HG11 ' A' ' 17' ' ' VAL . 4.0 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -62.92 -41.39 99.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.4 90.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.9 mttp -63.85 -43.62 95.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.8 mt -63.22 -32.98 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.4 tt0 -65.4 -67.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -25.02 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -78.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.19 -54.45 5.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.1 26.53 1.85 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.4 mt -89.51 141.64 28.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -75.02 149.11 36.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.2 Cg_endo -74.97 -24.82 12.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.382 1.727 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -36.71 80.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -96.22 12.44 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.59 ' OE1' HD13 ' A' ' 69' ' ' LEU . 4.7 mm-40 -92.97 125.81 37.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -133.83 97.31 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.39 119.43 35.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 42' ' ' ARG . 2.4 mp -107.99 147.89 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -152.76 105.93 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 47.29 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 8.74 51.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -108.03 114.05 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.74 128.09 33.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 HD23 ' A' ' 67' ' ' LEU . 6.9 mt -77.58 112.43 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE2' ' NH2' ' A' ' 54' ' ' ARG . 1.8 mp0 -86.13 116.53 24.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -47.39 104.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.79 -14.25 2.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 8.7 mtt180 -96.86 158.5 15.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 HG22 HG22 ' A' ' 22' ' ' THR . 74.4 p -99.0 147.17 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 18' ' ' GLU . 9.4 mt -59.12 -33.02 70.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -62.51 -46.6 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.87 -16.43 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 10.7 m-85 -98.07 -17.81 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.57 66.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.1 mp -88.8 142.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -94.74 154.08 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.33 124.69 10.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.11 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 55.26 51.01 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -66.73 166.87 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -102.52 100.73 10.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 7.0 mp -109.26 149.23 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 112.73 25.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.641 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.8 tp -95.1 90.45 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.734 HG23 HD13 ' A' ' 8' ' ' LEU . 7.1 p -114.05 176.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.658 ' H ' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -87.0 150.55 23.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -92.93 167.42 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -65.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -90.31 -151.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.49 101.46 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' VAL . 13.3 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -88.56 148.99 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -139.79 159.88 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.3 m-85 -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 69' ' ' LEU . 1.4 p -90.22 141.35 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.69 147.85 29.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 ' HB ' HG22 ' A' ' 9' ' ' THR . 5.3 m -99.79 169.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.0 HD13 HG13 ' A' ' 70' ' ' VAL . 12.8 tp -64.18 -12.44 40.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.404 HG22 ' HB ' ' A' ' 7' ' ' THR . 14.6 t -100.61 12.87 36.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.07 16.98 69.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -76.58 147.88 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.0 m -103.11 119.87 39.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.15 114.03 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.687 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.0 m -96.01 137.39 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 29' ' ' LYS . 11.1 tp -138.6 133.66 32.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.56 117.3 29.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 26' ' ' VAL . 10.6 m -137.11 179.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 mt-10 -107.57 159.55 29.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.96 21.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.456 1.766 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -24.66 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.9 143.68 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -85.86 167.44 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 50' ' ' LEU . 18.1 mm -59.78 -33.66 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.42 -34.59 78.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 9.8 t-20 -69.56 -48.14 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 56' ' ' LEU . 36.5 t -63.83 -39.02 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 30' ' ' ILE . 3.9 mtmp? -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.35 93.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB3' HD21 ' A' ' 15' ' ' LEU . 16.0 mtpp -64.15 -45.01 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 27' ' ' LYS . 19.2 mt -63.08 -33.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 tt0 -65.74 -62.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.42 -32.26 17.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -77.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -62.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 120.45 14.98 5.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.088 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.417 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -88.85 144.38 32.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.06 151.59 39.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.0 -26.88 10.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.62 -38.49 80.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -90.77 12.49 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.3 mt-30 -93.59 135.57 34.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 90.2 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.575 ' CD2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.27 118.59 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.0 mt -105.62 140.46 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 6.1 t80 -152.92 123.1 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.55 19.28 9.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.55 -17.67 56.99 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -99.8 130.13 45.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.59 137.68 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 1.4 mt -79.3 104.72 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.18 135.79 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 28.8 t0 -48.03 111.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.57 -15.78 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 12.2 mmt180 -96.9 146.78 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -99.57 144.59 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD11 HG21 ' A' ' 26' ' ' VAL . 9.8 mt -54.42 -39.08 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -63.12 -38.71 92.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.068 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -20.36 63.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 54' ' ' ARG . 14.5 m-85 -99.61 -7.17 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 54.65 57.39 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 7.1 mt -78.99 144.32 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.62 151.85 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -50.18 131.53 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 54.98 53.69 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.9 m -75.46 168.15 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.09 102.08 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 5.2 mp -105.99 146.06 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 43' ' ' LEU . 6.0 tp -98.07 98.97 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.0 HG13 HD13 ' A' ' 8' ' ' LEU . 61.0 t -114.12 164.37 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.9 mm? -86.65 179.05 6.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -92.9 162.54 14.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.226 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.06 -47.19 53.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -90.23 -150.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 40' ' ' GLN . . . -136.56 -86.46 0.2 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.01 149.53 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.685 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -144.51 163.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.72 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.4 m-85 -118.17 99.01 6.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 13' ' ' ILE . 11.7 p -85.06 141.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 150.04 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -99.81 162.31 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD13 HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.93 -4.17 8.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.0 m -98.2 -25.32 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.66 -0.7 26.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -73.23 147.38 44.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.814 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.9 m -103.56 125.57 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.8 mm -125.41 116.5 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.72 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.72 139.68 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.03 136.4 36.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 15' ' ' LEU . 30.7 tt0 -98.93 119.49 37.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.63 -179.77 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.23 156.32 37.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.66 20.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -89.33 -16.88 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -71.1 148.46 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 74.9 p -85.52 170.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 50' ' ' LEU . 16.0 mm -62.69 -41.53 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -33.75 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.298 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.92 -46.21 68.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.952 HG21 HD11 ' A' ' 56' ' ' LEU . 49.1 t -63.81 -41.13 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.883 ' HG3' HD11 ' A' ' 43' ' ' LEU . 16.3 mtpt -66.07 -36.72 83.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.72 94.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.85 -49.99 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.76 -32.43 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' GLY . 39.3 tt0 -65.32 -56.95 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -25.81 66.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -75.11 -75.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.14 -56.06 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 124.74 4.34 7.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 89.7 mt -78.69 143.37 62.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 -31.4 6.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.95 -35.82 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 109.367 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 5.0 tp60 -90.82 4.33 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.572 ' HG3' HG22 ' A' ' 36' ' ' ILE . 26.1 mt-30 -93.79 136.12 34.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -133.48 100.53 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.883 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.1 mt -97.03 117.68 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -106.15 130.73 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 5.2 t80 -151.04 141.76 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 19.87 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.78 -10.73 61.57 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.91 145.53 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -80.94 142.63 33.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 43' ' ' LEU . 15.1 mt -74.83 121.07 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -88.54 112.82 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -47.16 103.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.01 -14.89 2.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.91 152.63 18.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -91.23 152.1 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.952 HD11 HG21 ' A' ' 26' ' ' VAL . 16.5 mt -61.36 -36.44 80.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.3 t -63.22 -37.9 89.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.08 -19.07 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -97.92 -3.58 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 45.0 t-20 54.79 53.29 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 56' ' ' LEU . 5.1 mt -82.62 138.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 21.2 mm-40 -98.22 149.65 22.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.9 ttpt -50.59 141.99 11.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 53.84 38.12 27.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.54 172.78 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.058 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -107.57 107.53 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.6 mp -109.2 142.63 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 114.28 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.681 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 12.8 tp -99.0 100.25 11.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 71' ' ' LEU . 36.2 t -114.24 162.8 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.647 HD23 HD13 ' A' ' 8' ' ' LEU . 1.1 pp -87.18 146.23 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -87.8 168.57 12.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -73.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -90.2 -150.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -121.51 2.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.603 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.99 149.25 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 HD22 ' A' ' 67' ' ' LEU . 46.1 pt -144.5 163.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 5.9 m-85 -118.67 98.6 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.3 p -83.75 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -114.06 147.29 38.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -99.91 165.1 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.595 HD13 HG13 ' A' ' 70' ' ' VAL . 12.3 tp -63.93 -13.07 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' LYS . 9.5 t -100.78 20.8 14.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.8 23.93 61.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.565 1.165 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -83.73 146.32 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.358 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -103.62 114.74 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.785 ' O ' HG12 ' A' ' 5' ' ' VAL . 70.2 mt -125.08 120.15 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.0 m -95.79 149.6 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.953 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.52 134.49 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 pm0 -101.02 107.42 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.224 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.953 HG13 HD12 ' A' ' 15' ' ' LEU . 34.2 m -135.12 -179.78 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mm-40 -107.28 158.39 33.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.61 21.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 p -89.26 -24.3 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.27 146.69 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.1 p -85.46 175.0 9.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 50' ' ' LEU . 6.0 mm -67.56 -27.42 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -69.2 -42.9 75.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -67.01 -44.57 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 56' ' ' LEU . 50.0 t -65.85 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -40.53 90.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -64.29 -41.47 96.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' GLU . 45.4 mt -64.74 -37.84 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.4 tt0 -62.74 -59.0 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -26.39 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -78.51 -72.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.29 -60.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.16 -4.3 5.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -78.72 142.55 61.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 153.58 41.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.09 -25.86 11.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -69.15 -43.37 74.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.55 13.71 15.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.385 1.053 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.598 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -94.08 134.47 36.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -133.63 98.29 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 69' ' ' LEU . 7.2 mt -97.32 121.45 39.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.75 136.68 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 7.6 t80 -151.45 124.17 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.42 20.05 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.9 -11.21 69.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -104.35 134.61 47.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 0.758 . . . . 0.0 109.212 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.46 140.86 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 23' ' ' ILE . 10.7 mt -76.21 118.38 18.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -89.08 120.02 30.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.03 103.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.15 -15.79 1.91 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -96.72 149.29 21.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -94.37 151.99 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 26' ' ' VAL . 4.5 mt -57.56 -37.57 73.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.25 -40.96 98.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.96 -20.63 58.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.83 -6.76 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 55.08 57.3 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mt -78.9 148.71 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.0 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -51.12 127.21 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 10.2 pt-20 48.91 48.3 20.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 20.6 t -64.62 172.82 2.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -105.03 107.06 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.0 mp -109.18 144.61 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -106.92 115.3 29.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.7 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -102.23 106.72 17.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG13 HD13 ' A' ' 8' ' ' LEU . 25.9 t -114.36 147.69 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -83.13 152.45 25.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.67 169.48 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -61.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -90.08 -149.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -135.57 -142.5 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.97 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.3 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.546 0.212 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -92.64 152.83 19.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pp -143.86 161.58 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.678 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.7 m-85 -118.96 119.66 34.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -108.31 155.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 143.71 44.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 13' ' ' ILE . 41.0 p -101.05 173.05 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.56 -15.09 57.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 9' ' ' THR . 6.4 m -98.93 24.86 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.4 20.27 5.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -83.83 151.21 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -102.97 122.26 44.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 7' ' ' THR . 48.3 mt -124.97 119.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.9 m -95.9 139.26 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -137.86 135.47 36.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.93 113.47 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.766 HG11 HG13 ' A' ' 26' ' ' VAL . 27.8 m -129.86 174.48 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -107.29 159.64 29.39 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.77 21.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -89.26 -19.42 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.99 142.88 45.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 26' ' ' VAL . 64.8 p -85.49 171.35 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.383 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG22 ' HD2' ' A' ' 27' ' ' LYS . 16.6 mm -58.16 -43.6 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.54 -32.97 70.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -48.48 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.766 HG13 HG11 ' A' ' 17' ' ' VAL . 17.2 t -63.91 -37.26 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 23' ' ' ILE . 8.2 mttp -66.19 -47.13 74.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.62 74.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.7 mttt -64.93 -44.68 88.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.563 HG23 ' OE1' ' A' ' 34' ' ' GLU . 26.1 mt -64.06 -33.4 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.5 tt0 -65.25 -63.09 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -22.42 60.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.39 -74.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.563 ' OE1' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -71.3 -56.69 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.11 0.63 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 14.6 mt -78.28 143.36 64.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.804 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.04 152.23 40.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.92 -26.19 11.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -44.02 73.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.83 20.03 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 1.9 mt-30 -94.08 133.6 37.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 12.2 ttt180 -133.43 89.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD2' HD13 ' A' ' 69' ' ' LEU . 3.5 mt -97.22 121.39 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.28 143.06 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.936 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -152.79 120.15 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.09 13.58 8.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.21 -4.1 70.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.33 137.41 45.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.33 139.0 36.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 43' ' ' LEU . 18.2 mt -75.44 115.91 15.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 112.86 24.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.13 104.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.93 -14.43 2.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.3 mtt-85 -96.68 150.84 20.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.5 p -99.06 150.47 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.8 mt -62.37 -28.13 69.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 t -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.48 -15.17 24.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.52 -14.28 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 54.9 69.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 ' CE2' ' A' ' 45' ' ' PHE . 17.0 mm -88.02 142.68 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.03 145.8 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -50.67 133.07 26.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 54.55 53.85 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -75.19 166.5 23.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -107.18 100.63 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 67' ' ' LEU . 2.3 mp -109.13 145.17 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.46 110.19 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 43' ' ' LEU . 4.0 tp -96.64 93.75 6.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 3.6 p -114.24 165.85 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -87.1 168.5 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 71' ' ' LEU . 6.9 mmt180 -93.13 160.79 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -59.85 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -150.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.57 -139.11 4.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.462 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.22 149.46 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -139.06 163.05 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 14' ' ' THR . 9.0 m-85 -118.68 103.0 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.8 p -88.87 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.15 145.05 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' THR . 5.6 p -100.71 159.64 15.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.46 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -67.32 -3.1 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' THR . 91.3 m -98.1 -9.92 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.95 -6.45 69.5 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.14 149.59 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -103.55 127.58 50.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.804 ' O ' HG12 ' A' ' 5' ' ' VAL . 29.5 mm -125.44 117.14 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.558 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.0 m -95.96 142.26 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.35 132.28 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -97.11 113.62 25.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG11 HG13 ' A' ' 26' ' ' VAL . 33.8 m -132.95 177.45 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' HD12 ' A' ' 56' ' ' LEU . 4.0 mt-10 -107.43 160.95 24.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.64 20.64 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -89.29 -24.24 22.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.54 143.13 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 p -85.69 173.64 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 50' ' ' LEU . 12.3 mm -61.78 -36.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.3 pt-20 -63.69 -37.86 88.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 t-20 -67.35 -44.3 79.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 17' ' ' VAL . 59.6 t -64.0 -43.09 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -63.88 -42.06 97.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.1 88.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -42.41 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG21 HE22 ' A' ' 41' ' ' GLN . 50.8 mt -63.16 -33.96 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.0 tt0 -65.48 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.22 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.89 -27.4 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -74.8 -78.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -56.88 4.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.03 28.93 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.8 mt -89.72 142.47 29.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.97 145.65 31.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -26.2 11.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -68.19 -42.63 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -91.12 14.9 12.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.677 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.7 mm-40 -93.14 124.62 37.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -133.47 97.58 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.677 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.0 mt -97.4 120.6 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.82 141.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.769 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -154.48 126.4 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.6 17.92 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.54 -12.23 70.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -103.68 137.11 42.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.6 141.72 31.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.197 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' ILE . 14.2 mt -75.85 119.96 20.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.06 115.56 26.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -47.27 103.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.46 -14.83 2.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -96.84 146.7 24.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.5 p -90.27 149.72 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 26' ' ' VAL . 5.7 mt -61.91 -28.77 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -62.44 -50.85 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.39 -13.22 37.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -97.84 -13.62 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 54.95 60.38 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.769 HD12 ' CE2' ' A' ' 45' ' ' PHE . 9.6 mm -78.91 146.39 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.88 145.54 24.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.43 125.19 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 54.8 49.28 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -72.09 172.51 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -107.11 107.91 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.7 mp -108.76 149.79 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -107.16 110.59 22.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.615 1.197 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 ' OE1' ' A' ' 41' ' ' GLN . 5.9 tp -94.63 98.88 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.35 159.65 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -87.08 150.76 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.16 169.83 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -90.19 -151.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.61 -120.39 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.2 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.418 0.151 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -95.12 152.07 18.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.59 157.5 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -120.22 105.9 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.2 p -95.62 152.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.379 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -107.9 148.57 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.5 p -105.77 167.17 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.55 -15.71 58.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 9' ' ' THR . 2.9 m -99.21 24.64 7.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.78 18.23 7.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.07 150.9 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -99.71 124.34 44.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 5' ' ' VAL . 18.9 mm -125.23 113.96 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.71 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.4 m -95.92 140.12 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.26 134.22 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -100.89 109.82 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -130.01 178.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.35 160.33 26.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.71 21.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -24.7 22.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.79 145.31 54.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.1 p -85.71 173.0 10.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.621 HD11 HD13 ' A' ' 50' ' ' LEU . 5.4 mm -62.54 -37.75 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -37.13 85.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -45.9 74.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 17' ' ' VAL . 86.3 t -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HG3' HD11 ' A' ' 43' ' ' LEU . 1.7 mtpt -66.09 -42.75 88.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.37 81.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.55 -45.97 81.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' GLU . 20.6 mt -63.39 -35.72 73.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.3 tt0 -65.29 -58.44 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -32.51 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -76.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.95 -61.57 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.09 10.29 6.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.1 mt -87.61 142.79 33.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 158.18 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -25.95 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.432 1.754 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -68.94 -38.68 79.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.99 5.64 49.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HG2' HD21 ' A' ' 43' ' ' LEU . 1.8 tt0 -93.45 128.08 39.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -134.05 100.56 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.3 mt -97.76 121.39 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 mm -109.18 142.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t80 -151.62 117.79 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.76 33.54 23.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.46 0.98 59.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -101.19 124.56 47.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.02 125.19 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.621 HD13 HD11 ' A' ' 23' ' ' ILE . 8.0 mt -79.58 103.04 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 135.46 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.349 1.03 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.12 108.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.86 -17.73 2.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -96.7 142.95 28.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 p -98.88 153.55 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 61' ' ' ILE . 3.7 mt -61.22 -28.24 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -63.14 -54.67 34.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.923 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.1 -17.34 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.5 m-85 -97.58 -15.81 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 54.86 66.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -83.69 144.2 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.23 152.48 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 127.98 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 54.88 49.74 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -67.81 168.13 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.36 98.36 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 mp -104.69 149.91 25.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.07 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.537 ' HB2' HG21 ' A' ' 5' ' ' VAL . 11.2 tp -97.97 90.13 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 71' ' ' LEU . 92.6 t -104.72 164.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 mt -86.56 161.19 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -92.65 151.66 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.16 -66.86 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -150.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.7 -105.69 0.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.989 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.0 ptp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -87.66 149.79 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -142.97 161.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.67 103.79 10.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.6 p -92.48 147.21 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -108.58 155.12 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 9' ' ' THR . 3.8 m -99.98 164.53 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 70' ' ' VAL . 13.1 tp -64.62 -11.39 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 11' ' ' LYS . 15.0 t -99.97 -10.95 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.05 13.09 43.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 9' ' ' THR . 7.9 mtpt -75.06 151.09 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 m -103.39 117.87 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.743 ' O ' HG12 ' A' ' 5' ' ' VAL . 45.1 mt -125.07 113.4 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 4' ' ' PHE . 13.9 m -95.74 143.4 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.64 134.55 33.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -99.24 119.67 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG13 ' A' ' 26' ' ' VAL . 14.8 m -140.11 178.59 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.4 mt-10 -107.4 161.34 23.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -15.82 20.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.29 -24.59 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.24 143.91 56.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.38 171.93 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.648 HD12 HD13 ' A' ' 50' ' ' LEU . 27.7 mm -59.46 -49.57 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -54.62 -36.72 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -65.64 -44.33 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -63.71 -44.57 98.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -63.13 -41.04 99.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.07 88.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -64.45 -43.9 92.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.1 mt -63.76 -34.91 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLY . 34.9 tt0 -65.09 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -31.1 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -77.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.71 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.52 -0.54 6.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 37' ' ' PRO . 20.0 mt -78.8 143.02 61.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 152.45 40.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.1 -18.28 18.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.47 -42.12 79.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -91.46 0.79 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 2.6 tt0 -93.21 126.0 38.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -133.84 103.83 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.3 mt -97.55 122.89 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -104.54 144.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.2 t80 -152.5 130.17 11.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.17 16.82 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 -12.8 68.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.31 136.69 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.774 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -79.17 140.93 37.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD13 HD12 ' A' ' 23' ' ' ILE . 13.4 mt -75.92 117.13 17.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.28 114.63 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.19 104.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.68 -15.94 2.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -96.81 155.88 16.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 p -99.28 148.02 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 26' ' ' VAL . 1.5 mt -57.27 -31.91 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.7 t -63.19 -41.92 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.041 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -18.51 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.628 ' HB2' HD12 ' A' ' 61' ' ' ILE . 26.0 m-85 -98.3 -10.03 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 55.45 59.87 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -82.05 142.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.75 153.51 17.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.47 130.01 23.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.6 mp0 54.91 53.3 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -72.1 170.96 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.42 104.61 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.2 mp -108.94 146.2 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -107.11 114.73 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tp -94.95 104.05 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 8' ' ' LEU . 8.5 p -114.2 164.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.86 -172.56 4.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -91.68 151.28 20.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.94 -55.05 5.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptt85 -91.0 111.62 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.39 135.41 3.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.504 0.192 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.92 149.08 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.9 157.44 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.54 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.71 99.41 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 13' ' ' ILE . 10.2 p -88.88 143.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 150.88 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' HD12 ' A' ' 13' ' ' ILE . 47.1 p -99.95 164.06 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.905 ' CD1' HG22 ' A' ' 70' ' ' VAL . 1.6 tp -66.34 -6.21 13.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -98.52 -21.47 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.93 3.66 34.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -73.55 146.67 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -103.13 121.47 42.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.766 ' O ' HG12 ' A' ' 5' ' ' VAL . 26.8 mt -125.26 117.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 4' ' ' PHE . 22.4 m -95.67 146.22 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.966 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -138.27 136.47 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.5 pt-20 -100.95 112.3 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.966 HG13 HD12 ' A' ' 15' ' ' LEU . 22.8 m -135.11 -177.68 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -107.2 158.17 33.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -14.97 20.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.36 -24.13 22.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.933 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 146.47 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.5 p -85.71 169.52 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.9 mm -62.68 -32.67 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.24 -38.74 85.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -47.87 72.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 56' ' ' LEU . 93.1 t -64.0 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG2' HD11 ' A' ' 43' ' ' LEU . 9.1 mtmt -65.17 -40.84 94.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.2 96.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.34 97.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.99 -35.88 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 tt0 -64.91 -52.42 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -31.06 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.12 -72.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.21 -61.29 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.88 -6.27 6.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.0 mp -79.7 142.65 57.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.09 154.24 41.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.92 -23.22 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.66 -44.39 74.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.9 19.42 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 8.0 mt-30 -93.43 138.65 31.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.71 84.51 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -97.13 124.12 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -109.67 144.41 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.877 ' HB2' HD21 ' A' ' 50' ' ' LEU . 11.1 t80 -159.41 125.32 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.37 20.72 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.74 -7.22 77.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.56 146.05 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -79.03 142.16 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 ' HB2' ' A' ' 45' ' ' PHE . 19.1 mt -68.92 110.85 4.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -89.2 126.09 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -51.49 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -19.03 26.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -97.0 141.21 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 p -98.01 167.69 10.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 26' ' ' VAL . 14.3 mt -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 t -61.79 -37.11 83.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -19.94 64.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -98.72 -5.89 30.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.3 t30 56.95 54.5 6.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 ' CE2' ' A' ' 45' ' ' PHE . 11.8 mt -80.87 139.61 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -94.89 156.88 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 130.57 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mp0 54.48 54.67 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HG23 ' A' ' 61' ' ' ILE . 7.8 m -75.23 166.83 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -103.44 105.93 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 4.0 mp -109.07 145.54 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -107.06 109.26 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.636 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 43' ' ' LEU . 5.7 tp -94.03 112.21 24.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 8' ' ' LEU . 3.9 t -114.42 136.51 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -164.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' NE ' ' O ' ' A' ' 74' ' ' ARG . 1.2 ptm180 -88.97 177.76 6.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 6.2 mmt180 -91.29 109.05 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.34 167.5 37.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -92.1 146.64 23.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -137.35 160.63 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' HG2' ' A' ' 64' ' ' GLU . 5.9 m-85 -120.82 108.93 14.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.69 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -108.44 157.35 18.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 9' ' ' THR . 4.9 m -99.86 166.22 11.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -64.95 -10.75 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.488 HG23 ' HG3' ' A' ' 11' ' ' LYS . 14.8 t -99.9 -22.13 15.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 11.49 17.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' THR . 14.9 mttt -73.81 147.72 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -103.39 119.51 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -125.07 115.76 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.5 m -95.77 143.01 27.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -138.26 138.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.21 118.47 37.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 26' ' ' VAL . 22.8 m -140.32 176.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -107.28 161.67 22.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.09 21.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -89.24 -25.43 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.46 143.35 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . 47.5 p -85.58 170.15 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD13 ' A' ' 50' ' ' LEU . 11.2 mm -58.6 -40.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -36.86 81.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.205 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.71 -45.28 83.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 56' ' ' LEU . 18.6 t -63.7 -44.96 98.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -61.71 -42.04 98.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.7 88.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.809 ' HB3' HD21 ' A' ' 15' ' ' LEU . 7.1 mttt -63.9 -41.0 97.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.601 HG13 HD22 ' A' ' 15' ' ' LEU . 23.4 mt -64.4 -35.57 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.8 tt0 -64.42 -59.39 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -26.81 63.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -75.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -68.53 -59.26 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.76 -3.74 5.36 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.784 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.8 mt -78.41 143.57 64.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.425 0.72 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.03 152.21 40.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.393 1.733 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.98 -18.14 19.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.87 -43.95 74.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.02 17.73 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 110.23 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 38' ' ' PRO . 12.7 mt-30 -93.77 131.36 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' C ' HD23 ' A' ' 43' ' ' LEU . 14.6 ttm-85 -133.9 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . 4.8 mt -96.62 120.66 37.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.37 141.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.1 t80 -151.76 118.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.63 23.08 12.87 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.48 -0.89 88.49 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -108.52 134.8 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 132.34 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 43' ' ' LEU . 11.6 mt -70.3 113.51 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 118.24 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 -14.65 2.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -96.43 144.23 26.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -93.43 143.76 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -55.16 -35.4 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.361 1.038 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -62.88 -48.0 80.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 -12.92 42.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -97.91 -16.07 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 65.02 59.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.783 HD12 ' CE2' ' A' ' 45' ' ' PHE . 15.7 mm -81.94 140.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -96.82 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.85 129.22 22.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.7 mp0 54.52 55.19 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.234 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.498 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.7 p -70.82 156.79 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 50' ' ' LEU . 5.7 mp -109.28 146.57 34.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -106.75 113.38 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.45 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 8' ' ' LEU . 83.3 t -114.27 159.62 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -87.03 -168.8 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -89.49 170.08 10.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -52.12 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -167.66 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.66 -100.68 2.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.924 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.8 ptp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -89.48 150.36 22.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.858 HD13 HD13 ' A' ' 67' ' ' LEU . 1.6 pp -140.81 156.86 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.681 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.6 m-85 -119.26 108.1 14.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -97.8 150.79 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.8 148.53 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' LYS . 24.7 p -101.35 162.98 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -66.32 -6.65 14.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 m -98.51 -5.67 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.09 81.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 7' ' ' THR . 1.0 OUTLIER -73.05 148.69 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -103.59 130.5 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.0 mt -125.37 123.51 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.681 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.3 m -98.59 138.89 35.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.38 135.14 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' N ' HD13 ' A' ' 15' ' ' LEU . 18.1 tt0 -100.45 119.11 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 15' ' ' LEU . 35.5 m -136.68 179.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.3 156.82 36.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.97 21.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -25.02 21.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.44 146.56 54.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.3 p -85.43 171.69 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 50' ' ' LEU . 22.2 mm -57.93 -53.47 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.94 -36.93 50.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -44.34 90.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 56' ' ' LEU . 60.8 t -63.54 -44.95 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -37.04 85.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.85 98.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 15' ' ' LEU . 31.6 tttt -63.68 -46.94 83.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' OE1' ' A' ' 34' ' ' GLU . 25.2 mt -63.14 -32.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 33.0 tt0 -65.37 -63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -27.82 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -78.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' OE1' ' CG2' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -68.98 -58.1 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.48 19.09 3.54 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.9 mt -89.24 142.97 30.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.217 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.03 148.23 34.89 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.514 1.797 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.01 -23.11 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -68.75 -39.4 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.235 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -93.77 6.79 47.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.32 130.53 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -133.93 100.6 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.86 120.72 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -104.51 142.05 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.4 t80 -154.5 125.32 7.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.91 17.41 7.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -4.37 82.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.96 137.99 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.216 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.73 136.41 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 HD12 ' A' ' 23' ' ' ILE . 21.0 mt -71.56 116.05 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.04 114.5 25.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -47.06 105.68 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.82 -12.47 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.51 154.8 17.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -97.18 144.39 27.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 26' ' ' VAL . 26.6 mt -58.03 -36.35 72.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -61.81 -45.85 92.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -14.06 50.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -98.68 -11.95 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.92 61.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 45' ' ' PHE . 5.9 mm -87.9 135.95 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -96.05 153.45 17.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 130.75 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.73 55.13 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 m -74.08 168.25 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -106.75 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 3' ' ' ILE . 5.1 mp -105.21 148.02 27.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -107.37 112.16 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 41' ' ' GLN . 8.3 tp -95.11 97.73 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 8' ' ' LEU . 74.8 t -114.3 161.68 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.0 mp -86.65 167.63 14.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.97 176.87 6.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.91 -77.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.04 -93.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.76 -83.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.978 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -89.28 149.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.74 167.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 m-85 -117.67 99.24 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 13' ' ' ILE . 2.1 p -89.37 147.06 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.82 156.93 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.71 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.92 162.33 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.45 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.624 HD11 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.23 -6.53 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -98.45 -14.94 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 1.16 55.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.67 42.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -103.17 121.74 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.71 HD13 HG23 ' A' ' 7' ' ' THR . 3.6 mp -125.36 120.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.532 HG23 ' CD1' ' A' ' 4' ' ' PHE . 14.3 m -97.05 145.25 26.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD12 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.26 130.71 33.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.3 pt-20 -100.38 107.58 19.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG13 HD12 ' A' ' 15' ' ' LEU . 15.1 m -129.83 -178.56 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -107.39 160.03 28.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -13.64 21.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.567 1.825 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.37 -22.7 22.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 109.986 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 144.39 54.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 26' ' ' VAL . 76.0 p -85.66 170.2 12.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.537 ' CD1' HD13 ' A' ' 50' ' ' LEU . 23.1 mm -58.04 -47.18 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.9 -39.99 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.09 -42.34 99.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 22' ' ' THR . 9.2 t -63.73 -48.82 84.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.67 -40.85 89.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.81 -40.31 96.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.2 mt -62.8 -36.53 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.1 tt0 -65.44 -60.51 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -30.76 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 10.3 tttt -75.01 -74.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.17 -59.71 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.37 34.43 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.0 mt -89.66 142.62 29.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 143.03 28.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.02 -25.84 11.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.33 -33.5 74.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.12 14.47 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.525 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.3 mm-40 -93.18 124.95 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.58 97.26 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.6 mt -97.17 120.28 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.93 142.04 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -154.74 130.76 10.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.76 20.86 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.369 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -11.29 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -103.51 139.01 39.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 0.701 . . . . 0.0 109.325 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -82.7 140.35 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 23' ' ' ILE . 10.7 mt -73.65 121.46 20.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.73 111.73 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 p-10 -47.1 102.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.21 -16.27 1.9 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -96.83 156.64 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.99 146.06 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 61' ' ' ILE . 4.0 mt -52.35 -31.92 35.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -17.08 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 36.6 m-85 -99.0 -8.63 25.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.68 50.89 14.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -79.57 140.77 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.81 149.48 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -50.93 141.53 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.34 46.38 26.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 171.63 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.69 104.35 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.9 mp -109.43 143.31 39.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.47 112.0 24.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.626 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -95.46 101.33 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.624 HG13 HD11 ' A' ' 8' ' ' LEU . 91.8 t -114.34 165.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' N ' HG12 ' A' ' 70' ' ' VAL . 4.9 mt -86.3 151.04 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -84.6 169.65 14.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.354 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.01 -70.92 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -90.24 -150.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.61 109.04 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.947 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.54 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.489 0.185 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 37.6 tt0 -92.95 149.55 21.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.86 171.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.74 101.63 8.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.449 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -89.02 139.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.72 28.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -99.88 169.38 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.872 HD13 HG13 ' A' ' 70' ' ' VAL . 12.2 tp -64.25 -12.32 40.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 1.1 t -100.63 15.49 27.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.03 63.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 8.3 tttt -74.46 145.94 43.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -103.12 114.2 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.92 118.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 4' ' ' PHE . 17.0 m -96.01 145.3 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.21 130.42 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -97.61 108.06 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 15' ' ' LEU . 20.2 m -130.94 -178.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.26 159.27 30.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -15.16 21.1 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -23.33 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.8 146.72 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -85.53 171.72 11.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.672 HG22 ' HE3' ' A' ' 27' ' ' LYS . 17.6 mm -60.98 -44.17 97.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -31.59 71.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.53 -49.45 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.783 HG21 HD11 ' A' ' 56' ' ' LEU . 59.4 t -63.73 -38.61 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HE3' HG22 ' A' ' 23' ' ' ILE . 3.7 mtmp? -66.38 -41.77 88.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.95 91.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.92 -45.31 89.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' GLU . 17.7 mt -63.99 -35.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.2 tt0 -65.36 -58.26 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -54.5 -31.61 56.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -75.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ILE . 12.2 mm-40 -62.71 -63.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.36 -1.05 6.54 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.514 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.2 mt -78.72 136.82 58.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 156.78 42.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -13.61 21.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.43 -50.04 49.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.481 HE22 HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -91.0 22.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.245 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.922 ' OE1' HD21 ' A' ' 43' ' ' LEU . 5.1 mm-40 -93.6 128.03 39.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -133.72 92.91 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.3 mt -97.18 117.64 31.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.7 140.2 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -151.5 129.23 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 23.87 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.206 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 -4.41 83.42 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -106.46 133.65 50.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.46 138.42 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 45' ' ' PHE . 6.6 mt -78.44 115.34 18.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.09 120.62 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -48.1 105.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.61 -13.46 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -96.7 156.12 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 p -98.52 151.58 20.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.783 HD11 HG21 ' A' ' 26' ' ' VAL . 25.4 mt -61.06 -38.68 87.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -63.52 -37.03 85.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.18 -19.43 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -98.37 -2.89 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 54.72 50.02 16.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.379 1.049 . . . . 0.0 109.357 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 63.8 mt -83.02 138.22 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.93 153.22 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.4 142.54 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.7 mt-10 53.67 46.11 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 171.17 14.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.47 103.37 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.22 139.6 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.52 107.64 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -95.92 101.48 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 8' ' ' LEU . 69.8 t -114.18 166.68 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.516 ' N ' HG12 ' A' ' 70' ' ' VAL . 4.8 mp -86.57 -171.73 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 18.2 ptt180 -89.75 156.34 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 -73.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -150.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.07 83.15 0.31 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 14.4 ptp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.479 0.181 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 34.0 tt0 -90.97 149.08 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.644 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -141.85 167.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.524 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.2 m-85 -118.83 102.2 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.21 139.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -106.97 146.04 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.574 ' OG1' HD13 ' A' ' 13' ' ' ILE . 20.9 m -99.9 170.53 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.3 tp -63.77 -13.17 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 9' ' ' THR . 43.8 m -100.67 28.51 5.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.58 4.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -82.07 147.89 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 m -103.17 118.8 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' OG1' ' A' ' 7' ' ' THR . 4.1 mp -125.14 115.13 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.524 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.5 m -95.74 140.02 31.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -137.93 128.92 27.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.17 120.35 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.52 HG11 HG13 ' A' ' 26' ' ' VAL . 17.9 m -140.13 178.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.07 161.62 22.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -15.02 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -24.33 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.81 144.43 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.2 p -85.58 170.75 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 23' ' ' ILE . 8.3 mm -62.57 -42.23 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -35.12 76.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.6 73.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 56' ' ' LEU . 43.5 t -63.85 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -65.37 -42.08 93.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.8 85.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.2 mttp -63.85 -47.85 79.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.594 HG12 HD13 ' A' ' 15' ' ' LEU . 31.3 mt -64.01 -32.76 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 9.0 tt0 -65.24 -55.47 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -30.53 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -74.86 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.15 -61.68 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.42 -2.37 6.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.777 HG23 ' HD2' ' A' ' 37' ' ' PRO . 22.4 mt -78.75 143.31 62.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.777 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.92 154.88 43.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.03 -23.41 13.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -68.36 -32.23 72.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -99.29 13.74 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 17.9 mt-30 -93.56 134.56 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.619 ' HG2' HD11 ' A' ' 44' ' ' ILE . 2.6 ttm-85 -133.74 93.47 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.708 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.6 mt -97.05 120.0 36.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' ARG . 8.5 mm -107.77 141.09 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -151.0 114.65 4.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 42.81 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.47 9.36 43.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 123.75 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -78.97 130.84 35.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 43' ' ' LEU . 22.8 mt -75.08 113.5 12.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 1.8 mp0 -89.09 113.78 24.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -46.93 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.08 -13.64 2.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ILE . 4.3 mpt_? -96.72 154.78 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -97.18 144.75 26.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 10.9 mt -55.5 -34.92 65.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 t -63.11 -41.14 99.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.28 61.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 8.2 m-85 -99.71 -15.63 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 65.02 64.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 59' ' ' TYR . 1.2 mp -88.99 140.01 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -95.85 156.69 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.18 130.24 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 54.44 54.32 9.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -72.81 169.36 16.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.16 103.2 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.11 143.29 38.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.89 105.82 16.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.638 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 tp -94.65 95.86 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 4.1 p -114.31 173.15 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' H ' HG22 ' A' ' 70' ' ' VAL . 4.3 mm? -83.05 172.54 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -83.05 169.0 16.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -60.08 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.43 -158.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ARG . . . 37.05 88.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.996 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' VAL . 8.5 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.177 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -89.18 149.26 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -139.03 161.69 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.67 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.5 m-85 -118.85 102.41 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.8 148.47 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.72 153.01 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.745 ' OG1' HD13 ' A' ' 13' ' ' ILE . 2.6 m -100.93 167.53 10.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.608 1.192 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -64.23 -17.24 63.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.1 t -98.77 6.03 47.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 24.04 66.92 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -82.15 154.94 25.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.566 ' C ' HD12 ' A' ' 13' ' ' ILE . 21.1 m -103.74 118.04 35.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' OG1' ' A' ' 7' ' ' THR . 2.7 mp -125.29 111.14 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.67 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -95.74 139.36 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.25 134.58 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -96.17 111.92 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 26' ' ' VAL . 35.3 m -129.84 176.82 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -107.48 161.33 23.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -14.1 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.761 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -89.46 -25.14 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.77 141.69 57.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.4 p -86.04 175.12 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 23' ' ' ILE . 28.9 mm -60.04 -47.93 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 1.8 pt-20 -56.71 -29.88 62.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -71.47 -46.96 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 17' ' ' VAL . 22.0 t -64.05 -37.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -66.15 -49.94 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.8 mttt -66.97 -45.38 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 HD22 ' A' ' 15' ' ' LEU . 35.1 mt -62.37 -34.21 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLY . 28.5 tt0 -65.65 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -28.74 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -79.9 -58.49 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.38 32.7 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 37' ' ' PRO . 27.6 mm -90.0 143.04 29.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.02 147.37 33.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.01 -31.71 5.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -37.73 79.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -91.39 8.51 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -93.58 132.29 38.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.85 99.15 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.5 mt -97.78 118.06 33.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.83 142.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 t80 -150.97 113.43 4.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.87 40.72 32.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 6.17 52.43 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -104.45 122.92 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.08 126.04 30.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 43' ' ' LEU . 16.2 mt -73.17 112.61 9.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.08 116.19 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -47.17 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.87 -10.88 3.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -96.42 153.9 17.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.74 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 p -98.67 141.95 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mt -56.36 -34.75 66.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -62.8 -41.65 99.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -17.75 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 61' ' ' ILE . 17.0 m-85 -98.5 -13.73 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.24 64.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 56' ' ' LEU . 1.2 mt -88.58 140.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.59 152.41 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.39 131.01 24.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.85 55.36 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -75.52 171.03 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.23 100.75 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.6 mp -108.19 147.0 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.45 115.86 30.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -101.46 94.24 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -114.08 168.71 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' N ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.35 151.81 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -83.31 166.9 18.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -66.83 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -150.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.21 -108.11 1.25 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 9.1 ptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.538 0.208 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.59 154.3 20.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.529 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -148.46 164.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.79 101.87 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.1 p -91.19 145.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.98 24.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.9 p -99.74 166.59 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD12 HD12 ' A' ' 71' ' ' LEU . 2.6 mt -65.35 -8.7 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -99.36 -5.96 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.53 7.27 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -73.7 150.52 41.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 m -102.88 120.96 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 5' ' ' VAL . 61.8 mt -125.09 118.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.705 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.5 m -95.89 141.35 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.42 134.87 34.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -99.19 119.81 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD23 ' A' ' 15' ' ' LEU . 27.8 m -140.08 177.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.33 160.85 25.04 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.94 21.24 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.604 1.844 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -89.29 -25.29 21.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.7 144.16 57.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 p -85.49 171.28 11.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 HD13 ' A' ' 50' ' ' LEU . 4.8 mm -61.18 -39.3 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -35.73 81.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -66.63 -47.27 73.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 56' ' ' LEU . 48.2 t -63.84 -41.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.5 mtmt -61.96 -48.54 79.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.16 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.5 mttm -64.15 -41.94 96.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 27' ' ' LYS . 10.8 mt -62.82 -38.03 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.3 tt0 -65.38 -58.84 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 -31.03 14.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -72.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.74 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.64 19.84 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.4 mt -89.18 143.14 30.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.95 154.51 42.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.97 -27.52 10.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -38.31 79.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -91.14 4.33 52.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.8 tt0 -93.35 127.99 39.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.55 105.71 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.731 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.7 mt -97.66 122.49 40.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -107.81 132.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.0 129.52 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.3 20.27 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.24 50.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.32 140.87 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -82.06 142.85 31.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.3 mt -76.48 122.15 24.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.18 114.36 23.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -46.83 104.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.11 -13.32 2.82 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 145.12 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 144.52 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -54.79 -31.91 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.8 t -62.97 -46.92 85.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.072 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -15.54 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.497 ' CB ' HD12 ' A' ' 61' ' ' ILE . 3.6 m-85 -98.57 -12.37 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 57.11 65.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.497 HD12 ' CB ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -85.87 145.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -94.76 153.87 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 125.33 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 54.65 53.28 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -69.82 166.6 19.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -101.68 103.51 14.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.11 144.0 37.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -107.1 116.7 32.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 0.0 109.644 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD11 ' HG3' ' A' ' 41' ' ' GLN . 10.8 tp -100.0 95.49 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG22 ' H ' ' A' ' 71' ' ' LEU . 8.8 p -112.42 173.8 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD12 HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.02 160.66 25.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -91.29 10.34 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.619 1.199 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD12 HD22 ' A' ' 71' ' ' LEU . 11.4 mt -74.15 -70.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -150.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.58 -111.67 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.993 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.9 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.45 0.167 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.75 147.9 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.468 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.71 162.16 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.98 110.44 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 67' ' ' LEU . 3.9 p -102.33 139.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -107.49 145.24 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.73 HG23 HD13 ' A' ' 13' ' ' ILE . 26.3 p -99.79 173.25 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 70' ' ' VAL . 11.4 tp -65.22 -9.59 24.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.9 m -99.18 22.04 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.17 8.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.2 146.99 27.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 13' ' ' ILE . 8.6 m -103.28 121.99 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.73 HD13 HG23 ' A' ' 7' ' ' THR . 4.2 mp -125.08 118.93 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.4 m -95.65 143.66 26.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.512 HD11 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -138.1 125.47 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.68 114.92 26.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 HG13 ' A' ' 26' ' ' VAL . 29.8 m -138.8 -175.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt-10 -107.25 159.26 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.62 21.37 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -89.21 -24.44 22.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.06 144.07 56.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.5 p -85.65 171.42 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.461 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD13 ' A' ' 50' ' ' LEU . 40.1 mm -57.73 -57.0 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -36.61 14.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -44.31 87.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 22' ' ' THR . 4.1 t -63.19 -49.07 84.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -59.51 -38.91 82.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.41 95.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.64 -41.43 98.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' LYS . 12.8 mt -62.74 -35.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.1 tt0 -65.32 -63.07 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -29.28 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 15' ' ' LEU . 1.1 mtpt -75.93 -76.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.98 -58.22 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.7 21.46 2.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 41' ' ' GLN . 9.0 mt -89.3 138.14 28.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 151.61 40.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -31.2 6.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -68.27 -24.96 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -93.5 -41.48 9.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 pt20 -82.76 137.51 34.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.561 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.68 113.97 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.737 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -99.44 121.6 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.16 153.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -158.25 130.21 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 20.39 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.05 -6.69 80.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.74 137.05 44.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 0.817 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -79.16 135.56 36.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 43' ' ' LEU . 27.6 mt -68.98 114.99 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -89.1 115.79 26.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.228 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -47.22 105.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.08 -12.67 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.45 154.66 17.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 0.795 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -98.99 144.11 28.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 12.6 mt -53.15 -36.57 61.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 t -63.05 -41.89 99.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.4 58.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.9 m-85 -98.19 -8.53 27.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.6 59.68 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.2 mt -81.37 138.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -98.23 158.65 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -50.53 132.73 25.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 54.49 55.25 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.4 p -74.64 151.73 39.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -97.23 109.92 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mp -109.17 146.99 33.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 110.33 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tp -98.8 103.74 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 8' ' ' LEU . 2.5 p -113.24 174.84 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.531 ' H ' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -86.93 159.92 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.62 169.59 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.94 -73.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 104.64 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.68 142.38 5.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.988 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptp . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -86.47 150.76 24.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.53 161.34 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 14' ' ' THR . 8.7 m-85 -118.94 98.88 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 69' ' ' LEU . 2.6 p -86.27 137.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.03 145.45 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -99.84 169.89 8.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.07 -12.83 42.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 9' ' ' THR . 28.0 m -100.7 28.76 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.03 23.13 5.25 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -83.16 145.8 29.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 0.81 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -103.4 118.63 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.874 HD13 ' OE2' ' A' ' 34' ' ' GLU . 84.9 mt -124.9 117.16 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.708 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.6 m -96.18 138.83 33.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.491 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 30' ' ' ILE . 9.4 tp -138.35 134.93 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.393 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -97.46 118.29 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG11 HG13 ' A' ' 26' ' ' VAL . 13.0 m -138.71 -178.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.56 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -107.49 158.87 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.338 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.35 21.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -89.31 -23.66 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.088 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.96 142.89 54.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.2 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.5 p -85.97 167.1 15.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.78 -28.71 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 1.7 tt0 -67.37 -41.11 85.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.92 -46.42 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.759 HG13 HG11 ' A' ' 17' ' ' VAL . 21.0 t -64.01 -41.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' CD ' HG22 ' A' ' 23' ' ' ILE . 33.2 mtpt -62.53 -45.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.59 78.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.7 mt -63.29 -34.89 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.2 tt0 -65.66 -60.94 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -32.14 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.387 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -74.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.874 ' OE2' HD13 ' A' ' 13' ' ' ILE . 3.1 mt-10 -66.23 -63.65 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 126.47 4.5 6.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.5 mt -78.4 143.06 63.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 -30.92 6.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.29 -38.22 81.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -90.78 12.1 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 4.0 mt-30 -93.62 139.49 30.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -133.89 88.93 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HB2' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -97.3 121.59 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.226 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HD11 HH11 ' A' ' 42' ' ' ARG . 18.2 mt -111.27 142.42 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -157.23 126.57 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 13.0 8.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 3.5 78.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -110.0 151.07 27.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -83.91 137.07 33.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 23' ' ' ILE . 41.4 mt -79.06 112.28 16.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -89.49 136.5 32.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 32.0 m-20 -52.1 -21.35 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.27 14.59 60.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -107.63 142.32 37.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 p -99.91 150.4 22.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 26' ' ' VAL . 8.0 mt -62.58 -38.99 92.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -63.22 -37.2 86.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.069 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -14.6 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.726 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.8 m-85 -106.14 -9.39 16.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 56.32 56.39 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.726 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -78.26 143.33 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.0 155.82 16.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 126.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 12.7 mp0 55.01 53.51 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.9 m -75.59 170.35 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.938 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -100.37 110.17 22.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.07 146.27 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.98 103.96 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.579 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.3 tp -97.98 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 71' ' ' LEU . 55.0 t -114.3 160.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.0 mm? -83.44 154.33 24.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -90.71 151.22 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -49.56 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.11 -151.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.32 -64.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.51 0.195 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -88.87 149.44 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.567 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -147.12 162.82 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -118.87 104.47 10.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 69' ' ' LEU . 2.4 p -93.69 148.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.8 152.61 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -100.11 166.57 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 70' ' ' VAL . 14.3 tp -64.09 -12.88 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 7.6 t -100.85 7.85 43.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.08 23.83 75.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 35.1 tttp -84.07 152.14 24.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.876 ' C ' HD12 ' A' ' 13' ' ' ILE . 19.3 m -103.36 116.55 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.876 HD12 ' C ' ' A' ' 12' ' ' THR . 1.8 mp -125.04 117.34 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.4 m -97.92 143.7 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.1 130.91 29.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -100.92 114.96 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.202 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -135.7 -178.21 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -106.07 159.22 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.95 21.35 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -89.12 -25.27 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.93 145.55 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 p -85.35 169.15 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.381 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.2 mm -59.48 -36.84 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.65 -36.53 84.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -44.44 76.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' THR . 13.0 t -63.87 -42.99 97.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -63.66 -44.4 93.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.88 78.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.59 -45.47 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.33 -31.05 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 23.4 tt0 -65.06 -57.9 7.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -30.09 68.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -73.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.74 -7.25 5.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.2 mt -78.96 137.32 57.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.96 157.27 43.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.35 12.96 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.34 -33.08 73.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.18 7.41 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.82 133.23 36.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -133.98 97.45 3.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.711 ' HB2' HD12 ' A' ' 50' ' ' LEU . 8.5 mt -97.53 124.27 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -105.03 141.42 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -154.43 126.56 7.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 15.85 6.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.8 -7.45 81.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.578 1.174 . . . . 0.0 110.997 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -106.93 149.17 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.364 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -79.04 139.73 38.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 45' ' ' PHE . 62.4 mt -69.36 116.86 10.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.29 126.74 35.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -47.87 -50.29 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.3 -17.8 33.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -97.19 134.23 40.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.743 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 22' ' ' THR . 16.8 p -96.86 165.18 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 26' ' ' VAL . 4.2 mt -61.89 -40.25 94.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -63.06 -43.98 97.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -15.89 59.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.1 m-85 -97.89 -6.87 31.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 55.19 52.45 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 83.6 mt -78.99 146.89 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -97.29 151.09 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 133.46 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 50.87 13.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 61' ' ' ILE . 7.7 p -74.8 158.34 33.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -96.81 107.29 19.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -109.17 149.48 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.2 110.71 22.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.691 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 43' ' ' LEU . 6.6 tp -95.03 96.62 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 HD13 ' A' ' 8' ' ' LEU . 98.1 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.52 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.5 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.438 0.161 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -85.34 151.28 24.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.491 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -142.35 158.93 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.218 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 4.9 m-85 -118.94 98.33 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.8 p -86.35 144.95 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.52 149.93 28.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 m -99.16 165.99 11.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 70' ' ' VAL . 14.3 tp -63.9 -13.06 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -100.55 9.47 42.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.36 22.31 78.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.07 147.65 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.8 m -103.56 116.38 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.675 ' O ' HG12 ' A' ' 5' ' ' VAL . 1.8 mm -125.24 114.86 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.513 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -96.61 142.22 28.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.371 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.857 HD23 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -138.12 133.84 33.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 116.19 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.857 HG13 HD23 ' A' ' 15' ' ' LEU . 33.9 m -138.18 178.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 3.6 mt-10 -107.0 157.65 34.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.9 20.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -89.05 -16.38 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.56 146.49 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 26' ' ' VAL . 13.1 p -85.4 167.76 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -62.85 -29.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.35 -41.08 77.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.36 -44.3 88.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 22' ' ' THR . 29.8 t -63.72 -45.26 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 43' ' ' LEU . 6.1 mtpt -63.52 -35.37 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.82 93.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HB3' HD21 ' A' ' 15' ' ' LEU . 3.0 mttp -63.98 -45.22 90.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 27' ' ' LYS . 11.7 mt -64.73 -33.19 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.9 tt0 -65.2 -54.99 21.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -29.08 69.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -70.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -62.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.3 -6.8 6.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 37' ' ' PRO . 81.4 mt -80.03 140.76 53.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.01 158.77 41.99 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.496 1.787 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.14 -24.64 12.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -35.36 77.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.42 2.07 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.05 133.29 36.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.553 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.96 97.34 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -97.83 123.95 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.395 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.03 139.55 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -151.12 123.84 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 17.58 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.3 -6.55 82.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -104.05 138.94 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.253 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -82.05 135.65 35.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD21 ' HB2' ' A' ' 45' ' ' PHE . 11.2 mt -71.67 110.28 6.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -88.73 117.72 27.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.41 104.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.58 -14.24 2.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -96.82 145.9 25.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.257 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 p -90.45 151.89 21.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 26' ' ' VAL . 33.4 mt -60.85 -40.79 94.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.21 -34.97 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -20.2 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 42.6 m-85 -98.54 -2.43 38.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 54.97 50.73 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 45' ' ' PHE . 96.9 mt -78.81 144.49 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.52 152.63 22.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.41 146.23 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 27.3 tt0 54.1 44.75 28.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 p -75.17 151.79 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -102.91 107.85 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 50' ' ' LEU . 6.4 mp -109.25 150.56 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -107.12 109.7 21.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.88 103.44 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 8' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.8 ptp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.489 0.185 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -90.4 150.4 21.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.559 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -141.37 159.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.98 101.18 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.5 p -90.64 144.22 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.96 153.96 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 11' ' ' LYS . 30.9 p -99.92 164.2 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -6.49 13.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.5 m -98.68 -24.93 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.84 2.94 25.25 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 7' ' ' THR . 7.8 tptm -73.5 147.26 44.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 0.7 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 52.6 m -103.07 124.6 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.505 ' O ' HG12 ' A' ' 5' ' ' VAL . 78.3 mt -125.15 115.11 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.83 139.71 31.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.15 134.14 34.21 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -99.06 116.49 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.2 m -135.6 176.38 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -100.81 153.67 37.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.85 21.3 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.1 p -89.32 -22.64 22.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.74 148.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.6 p -85.53 170.37 12.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 50' ' ' LEU . 6.8 mm -64.31 -27.79 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.31 -45.43 76.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -65.17 -41.58 94.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.644 HG21 HD11 ' A' ' 56' ' ' LEU . 60.4 t -63.67 -46.72 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.8 mtpt -62.88 -39.8 95.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.247 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.05 90.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -44.29 92.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 27' ' ' LYS . 13.9 mt -64.25 -34.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.1 tt0 -65.19 -55.97 15.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -26.63 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -73.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.4 -59.74 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.07 -5.73 5.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.4 mt -79.0 142.61 60.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.98 159.49 41.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.96 -29.76 7.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 66.3 mm-40 -90.83 2.08 56.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 tt0 -93.38 135.41 34.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.61 95.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -97.96 125.8 43.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.33 145.79 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.5 t80 -151.68 123.34 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 20.27 8.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.19 -13.18 67.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.83 132.78 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -78.92 140.34 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 7.1 mt -77.6 116.87 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.95 118.62 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.01 104.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.96 -15.82 1.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.1 mmt180 -96.51 145.07 26.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -88.87 144.17 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 26' ' ' VAL . 8.5 mt -53.29 -40.96 65.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -62.31 -33.77 75.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -20.96 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 50.6 m-85 -97.97 -5.87 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.184 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.73 55.08 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 4.4 mt -79.06 147.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.57 154.73 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 137.43 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 54.84 51.9 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 p -75.06 156.0 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -101.68 104.74 15.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.6 mp -108.9 146.37 33.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 116.36 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.56 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 HD21 ' A' ' 43' ' ' LEU . 7.2 tp -96.19 120.09 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.5 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -87.93 149.58 23.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.547 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.7 pp -140.23 157.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.706 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.83 102.3 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.7 p -88.5 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -107.42 150.25 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.424 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 1.4 m -103.86 160.12 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.95 -20.63 16.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 6.4 t -99.6 24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.41 27.95 58.76 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -83.23 149.11 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.259 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -103.31 116.52 32.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 5' ' ' VAL . 23.5 mt -125.12 113.01 33.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -95.87 140.59 30.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.28 133.98 33.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.31 115.27 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG11 HG13 ' A' ' 26' ' ' VAL . 32.9 m -135.67 -178.32 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 153.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.42 21.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -89.09 -25.33 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -66.08 148.78 51.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -85.49 170.18 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 27' ' ' LYS . 20.1 mm -62.79 -30.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.23 -40.62 86.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -66.23 -46.9 75.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 56' ' ' LEU . 58.8 t -63.86 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 23' ' ' ILE . 10.0 mttt -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.27 95.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -64.08 -45.76 87.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.48 -35.2 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.2 tt0 -65.11 -53.08 50.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -29.23 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -74.84 -73.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.86 -60.91 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.45 -5.23 6.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.4 mp -81.42 142.55 50.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 164.19 33.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -31.73 6.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.07 -33.24 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 78.1 mm-40 -91.37 -7.03 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.528 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -93.04 140.36 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.516 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.82 104.36 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -97.71 117.32 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -103.76 136.23 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -151.09 127.97 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.28 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.94 51.59 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.576 1.173 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -101.0 136.39 40.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -84.0 142.51 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 45' ' ' PHE . 5.6 mt -76.4 117.34 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.91 116.78 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -47.17 104.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.96 -14.22 2.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -96.64 156.73 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -96.27 144.31 26.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -56.29 -36.91 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -63.14 -37.29 86.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.03 -19.53 65.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -97.81 -1.47 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 54.63 56.02 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 45' ' ' PHE . 9.2 mt -82.71 136.0 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -95.86 156.28 16.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 130.64 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 54.87 55.18 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -74.89 169.09 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.12 102.69 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.3 mp -109.09 145.34 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 121.22 44.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -102.23 97.71 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 42' ' ' ARG . 5.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -91.24 159.28 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.3 pp -138.85 150.77 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CD1' HG23 ' A' ' 14' ' ' THR . 11.9 m-85 -118.94 103.11 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 67' ' ' LEU . 2.5 p -98.03 151.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.93 143.75 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -99.8 168.46 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -53.62 -27.68 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 11' ' ' LYS . 2.9 t -99.73 44.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.4 31.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HB2' HG23 ' A' ' 9' ' ' THR . 8.5 tttt -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -101.56 113.76 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mt -120.33 112.87 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.667 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.9 m -95.82 139.92 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -138.19 133.97 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -94.7 117.14 29.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG12 ' HD3' ' A' ' 29' ' ' LYS . 23.0 m -140.25 -179.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.6 mm-40 -107.14 154.2 40.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.19 21.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.624 1.855 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -22.55 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.22 150.14 48.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 p -85.22 171.51 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.45 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG22 ' HD2' ' A' ' 27' ' ' LYS . 22.2 mm -63.84 -34.04 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -37.88 84.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -66.27 -47.37 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.946 HG21 HD11 ' A' ' 56' ' ' LEU . 60.0 t -63.79 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG22 ' A' ' 23' ' ' ILE . 14.2 mttp -65.16 -40.75 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.04 95.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -63.87 -43.69 95.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.66 -34.0 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 41.9 tt0 -65.14 -59.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.95 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.9 tptt -75.41 -74.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.22 -60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.71 -4.13 5.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.644 HG23 ' HD2' ' A' ' 37' ' ' PRO . 18.4 mt -78.87 140.25 58.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.96 155.53 43.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.99 -22.13 15.15 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.04 -34.58 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -101.06 7.95 43.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.567 ' HG2' HD21 ' A' ' 43' ' ' LEU . 4.1 tt0 -93.44 131.55 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.96 98.5 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.567 HD21 ' HG2' ' A' ' 41' ' ' GLN . 4.9 mt -97.52 122.03 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -105.22 141.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 4.8 t80 -156.17 124.27 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.49 22.51 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.56 -2.68 86.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -107.94 136.8 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 0.715 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.89 137.41 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD11 HD23 ' A' ' 67' ' ' LEU . 6.2 mt -71.4 114.81 9.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 112.25 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.96 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.63 -15.12 2.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.9 mtt-85 -96.9 158.33 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -93.64 145.66 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.946 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -53.51 -40.31 65.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.0 t -62.33 -31.36 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -17.79 63.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -105.14 3.58 30.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t30 55.14 54.8 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 22.0 mt -84.79 131.77 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.08 159.78 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 129.91 22.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 1.3 mp0 54.82 54.9 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.407 ' OG ' HG23 ' A' ' 61' ' ' ILE . 5.9 m -73.87 167.66 21.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -106.19 100.67 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.2 mp -108.38 150.5 27.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.02 114.24 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.17 100.88 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.359 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.69 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 7.9 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.512 0.196 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -89.9 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -143.91 163.77 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.694 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.62 105.02 11.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.613 1.195 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.786 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.4 p -92.98 148.11 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.35 145.84 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -99.68 160.46 14.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.97 -9.41 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.459 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 97.6 m -98.95 9.46 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.14 60.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 17.8 mtmt -73.33 152.6 40.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -103.71 126.6 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.786 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.7 mm -125.19 114.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.1 m -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.08 129.42 27.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -98.48 107.3 19.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 15' ' ' LEU . 31.7 m -130.11 -175.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -107.16 158.82 32.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.33 21.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.08 -23.78 22.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.93 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 145.57 56.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 26' ' ' VAL . 49.0 p -85.17 170.91 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.459 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 50' ' ' LEU . 32.6 mm -58.0 -51.38 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -33.78 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.58 -44.34 78.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 22' ' ' THR . 3.4 t -63.65 -46.86 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 43' ' ' LEU . 22.9 mtmt -64.07 -35.18 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -64.41 -44.36 91.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.6 mt -63.93 -35.37 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 44.5 tt0 -65.36 -54.25 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.36 -30.58 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.5 mttt -79.73 -71.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.54 -63.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.02 -1.31 7.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.3 mt -81.89 138.87 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -18.98 18.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.16 -43.68 77.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.97 0.56 57.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.675 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -93.27 133.54 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -134.2 98.22 4.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.675 HD21 ' CG ' ' A' ' 41' ' ' GLN . 2.0 mt -98.09 119.89 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.79 148.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.652 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -151.16 127.43 10.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.81 21.67 3.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 -9.58 76.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 132.85 44.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -78.98 134.06 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 45' ' ' PHE . 14.6 mt -71.97 113.25 8.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.83 115.33 26.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.05 105.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -12.42 2.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.443 1.089 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -96.51 153.17 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -94.02 147.1 23.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 26' ' ' VAL . 24.1 mt -59.52 -37.02 77.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 t -63.08 -38.64 92.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -17.78 63.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -100.58 1.16 40.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.575 1.172 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 54.96 49.26 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 45.6 mt -78.84 128.24 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -94.69 156.03 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.07 132.23 23.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 56.84 55.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -75.06 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -106.76 98.34 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 5.4 mp -106.37 145.57 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 115.78 30.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.1 tp -98.57 108.64 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -87.31 153.42 21.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -141.94 154.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.8 m-85 -118.88 97.28 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.38 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -106.96 151.12 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 13' ' ' ILE . 3.2 m -103.5 168.93 8.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 70' ' ' VAL . 8.3 tp -63.68 -13.16 40.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 9' ' ' THR . 82.9 m -100.58 24.29 9.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.85 18.14 10.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -81.2 152.26 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -103.11 122.29 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 7' ' ' THR . 71.3 mt -124.85 112.5 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.674 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.4 m -98.51 139.01 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.132 . . . . 0.0 110.46 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.3 135.44 35.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -97.4 119.7 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 HD23 ' A' ' 15' ' ' LEU . 20.5 m -139.63 -179.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.22 158.87 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.57 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -89.29 -25.05 21.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.15 142.88 57.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.51 173.41 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 50' ' ' LEU . 11.4 mm -57.77 -62.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -43.75 -35.97 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.316 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -65.99 -45.77 80.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 22' ' ' THR . 21.9 t -63.42 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 30' ' ' ILE . 36.5 mtmt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.75 88.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.774 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.84 -39.29 93.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -62.8 -37.18 78.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.3 tt0 -65.22 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.42 -28.76 13.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -75.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -57.81 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.26 32.58 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.4 mt -89.81 142.56 29.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 144.38 30.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.05 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -28.6 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.23 4.06 41.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.596 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.04 129.75 38.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.86 99.89 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.596 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.4 mt -97.88 116.04 29.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.63 140.84 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 10.1 t80 -153.91 124.32 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.19 22.23 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.78 -16.08 48.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.04 133.42 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.753 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.09 136.97 36.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 59' ' ' TYR . 4.3 mt -79.28 110.03 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -89.42 134.38 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.11 110.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.77 -18.03 2.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -96.69 148.27 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.14 151.78 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD11 HG21 ' A' ' 26' ' ' VAL . 9.6 mt -62.03 -41.3 97.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -62.32 -36.52 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -20.72 60.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 50' ' ' LEU . 33.1 m-85 -101.02 -5.3 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 55.14 58.71 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 3.4 mt -78.94 143.39 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -95.62 156.67 16.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 131.67 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 55.8 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.417 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.0 p -75.01 158.43 33.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.057 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.04 103.63 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.5 mp -109.1 149.92 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.11 110.53 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HB2' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -99.23 96.5 7.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' VAL . 21.5 ptp . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.476 0.179 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -90.13 150.29 22.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.654 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -145.77 161.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.9 m-85 -119.06 104.36 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.183 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.1 p -92.06 141.95 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.738 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.97 151.45 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 13' ' ' ILE . 50.1 p -100.49 163.78 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -6.11 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -98.58 -20.87 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.87 1.99 34.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -73.35 141.39 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -101.9 123.41 45.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.423 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.0 mt -125.23 121.06 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.5 m -95.7 141.39 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -134.09 130.44 37.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' N ' HD13 ' A' ' 15' ' ' LEU . 2.4 pt-20 -99.76 106.96 18.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.894 HG13 HD12 ' A' ' 15' ' ' LEU . 13.5 m -130.15 178.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.09 160.35 26.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.49 20.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -89.24 -24.02 22.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.23 143.8 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -85.42 160.79 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' ILE . 22.9 mm -57.79 -26.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -44.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' ND2' ' NZ ' ' A' ' 29' ' ' LYS . 59.4 t30 -66.0 -41.69 90.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 56' ' ' LEU . 58.7 t -63.64 -47.46 91.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.85 86.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.07 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HE3' HG12 ' A' ' 17' ' ' VAL . 4.3 mtmm -63.78 -47.86 79.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.02 -34.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.0 tt0 -65.35 -52.64 52.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -29.73 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -68.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -63.48 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.42 -6.25 6.28 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 37' ' ' PRO . 16.8 mt -81.49 141.48 48.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 0.808 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.584 1.834 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.27 8.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.41 -32.04 72.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -17.7 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.2 mt-30 -85.95 135.07 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' C ' HD23 ' A' ' 43' ' ' LEU . 10.7 ttt180 -133.7 102.6 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 43' ' ' LEU . 5.8 mt -97.5 119.88 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -102.34 145.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.856 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -155.52 130.53 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 20.2 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -12.6 65.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.34 145.78 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -81.53 141.79 33.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 45' ' ' PHE . 15.1 mt -77.35 110.88 12.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ARG . 17.3 mt-10 -89.13 134.55 33.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -49.46 -45.33 46.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.44 -8.03 43.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mmt180 -103.33 139.0 39.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -99.61 160.3 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.087 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 26' ' ' VAL . 5.3 mt -62.19 -37.86 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -62.1 -41.44 98.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.62 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 13.4 m-85 -99.99 -10.45 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 56.77 61.04 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mp -79.42 147.08 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -105.21 154.58 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 132.11 24.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 54.9 56.05 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 61' ' ' ILE . 3.1 m -75.23 168.87 19.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.738 HG23 ' HE2' ' A' ' 6' ' ' LYS . 4.3 m -107.55 99.58 9.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HB ' ' A' ' 3' ' ' ILE . 7.3 mp -100.51 143.75 30.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 111.01 23.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 2.8 tp -94.0 102.77 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.37 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.536 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -92.39 149.53 21.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.573 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -138.98 160.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 5.4 m-85 -118.78 98.67 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -87.08 144.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -113.55 146.54 39.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -100.06 169.17 9.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.8 tp -63.82 -13.33 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 ' HB2' ' A' ' 11' ' ' LYS . 3.5 t -100.5 28.67 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.62 23.75 6.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' HB2' HG23 ' A' ' 9' ' ' THR . 9.3 tptt -83.15 146.15 28.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -103.15 117.78 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -125.1 117.06 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.563 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -99.39 140.5 33.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.13 136.81 37.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.7 tt0 -101.18 121.12 41.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.753 HG11 HG13 ' A' ' 26' ' ' VAL . 27.3 m -140.0 176.23 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.71 160.78 25.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.08 21.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 t -89.17 -24.09 22.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.053 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.59 143.03 56.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.58 169.08 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 50' ' ' LEU . 5.5 mm -64.66 -27.9 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -40.38 81.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.55 -44.41 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 HG11 ' A' ' 17' ' ' VAL . 40.5 t -65.98 -37.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 3.2 mttp -66.05 -48.44 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.375 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.47 74.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -64.62 -47.13 79.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.08 -34.32 67.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 43.5 tt0 -65.25 -55.25 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -31.71 66.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -74.94 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.09 -62.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.66 -2.51 6.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.2 mt -78.99 142.77 60.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 152.19 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.02 -28.38 9.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.5 -41.09 80.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 14.34 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 38' ' ' PRO . 11.9 mt-30 -93.6 137.12 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 94.05 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' CD2' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.79 121.48 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -107.23 136.71 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.316 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 6.1 t80 -151.52 121.02 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.21 13.46 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.12 -5.09 68.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -108.01 137.92 45.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -84.52 135.75 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 23' ' ' ILE . 7.2 mt -79.33 103.4 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.392 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 134.05 34.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.71 113.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.78 -23.38 2.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -96.95 136.03 38.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -90.92 156.1 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 26' ' ' VAL . 1.7 mt -61.92 -28.19 69.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -63.09 -52.48 62.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.18 -14.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 12.5 m-85 -97.42 -14.9 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.84 64.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 mt -86.5 139.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.36 151.67 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -50.47 141.58 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 7.0 mt-10 54.61 47.3 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -75.32 150.83 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -100.3 104.17 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 4.0 mp -109.41 145.59 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -107.21 108.67 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.3 tp -101.28 98.67 9.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 9.3 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.569 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.7 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.504 0.193 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -91.13 149.57 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.917 HD13 HD13 ' A' ' 67' ' ' LEU . 2.5 pp -144.49 166.34 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.29 104.87 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -93.35 146.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 144.47 33.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.529 HG22 HD13 ' A' ' 8' ' ' LEU . 1.7 m -99.9 163.54 12.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.52 -21.74 10.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.638 ' N ' HD22 ' A' ' 8' ' ' LEU . 5.1 t -99.71 39.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.6 28.36 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' HG23 ' A' ' 9' ' ' THR . 4.9 ttpt -83.89 149.39 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -101.06 113.68 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 13' ' ' ILE . 22.2 mm -124.28 116.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 4' ' ' PHE . 43.1 m -96.58 148.46 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.05 130.2 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.9 pt-20 -99.04 104.85 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG13 HD12 ' A' ' 15' ' ' LEU . 33.8 m -130.48 -178.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -107.32 158.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -14.21 21.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -25.04 22.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.071 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.12 144.02 56.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.225 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.1 p -85.43 173.25 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 50' ' ' LEU . 22.0 mm -63.0 -33.23 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.57 -37.75 85.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.45 -43.23 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 56' ' ' LEU . 32.5 t -63.98 -47.14 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -58.39 -46.73 85.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.72 76.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.744 ' HD3' HG12 ' A' ' 17' ' ' VAL . 1.5 mttp -65.1 -45.79 83.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.73 -33.18 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' GLY . 64.1 tt0 -65.3 -63.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.51 -29.8 11.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -77.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -77.18 -59.52 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.78 30.07 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 37' ' ' PRO . 17.7 mm -89.56 141.66 28.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.578 0.811 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.95 145.59 31.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.781 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -29.78 7.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.96 -34.35 76.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.94 14.4 29.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.854 ' OE1' HD21 ' A' ' 43' ' ' LEU . 2.8 mm-40 -92.5 126.99 37.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -133.71 94.4 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.854 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.4 mt -97.21 119.21 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -100.82 139.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.6 t80 -151.66 122.41 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.85 25.62 12.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.28 -11.65 60.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 130.71 50.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.41 140.68 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 67' ' ' LEU . 7.1 mt -74.51 119.0 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.06 115.28 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.77 104.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.17 -13.89 2.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -96.63 150.47 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -91.22 143.7 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 26' ' ' VAL . 7.1 mt -55.3 -34.13 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -63.41 -42.63 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -63.38 -17.87 63.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.73 -1.2 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 54.37 49.09 19.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD13 HD22 ' A' ' 56' ' ' LEU . 8.8 mt -80.66 130.0 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.2 154.43 17.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 134.64 20.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.95 54.81 8.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -75.93 168.2 20.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -106.95 95.72 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 3' ' ' ILE . 3.7 mp -109.15 147.16 32.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.65 114.54 28.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.078 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -93.88 101.02 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' VAL . 11.9 ptp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.529 0.204 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -94.77 148.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.08 164.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.707 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.85 105.07 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.1 p -94.77 152.16 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.22 148.71 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.5 p -99.88 164.9 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 70' ' ' VAL . 1.6 mt -65.61 -8.8 22.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.2 m -99.36 5.86 46.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.32 0.67 78.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -73.69 149.45 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -103.01 124.93 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.1 mm -125.24 121.32 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.0 m -95.76 142.77 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.13 128.01 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -96.33 110.11 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.588 HG11 HG13 ' A' ' 26' ' ' VAL . 28.3 m -129.83 -178.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.56 160.51 26.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.05 20.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -89.29 -24.9 21.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.5 143.14 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.6 p -85.63 176.78 7.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 50' ' ' LEU . 13.8 mm -65.67 -39.51 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.71 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -47.32 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG21 HD11 ' A' ' 56' ' ' LEU . 47.6 t -63.84 -40.32 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' HG ' ' A' ' 43' ' ' LEU . 73.2 mttt -63.85 -43.48 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.35 -36.1 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' GLY . 59.4 tt0 -65.65 -55.75 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -24.21 55.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -68.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -91.85 -58.03 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.49 33.89 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.9 mt -90.32 142.59 28.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 145.5 31.23 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.0 -28.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.54 -30.37 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 7.1 mm100 -98.24 8.06 45.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 17.6 mt-30 -93.31 128.81 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.59 98.55 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -97.63 115.35 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 mt -103.37 145.58 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.2 t80 -151.88 108.8 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.93 47.83 21.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.43 42.64 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 117.51 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.64 128.69 34.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.9 mt -79.03 112.09 15.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.99 121.55 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -47.42 104.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.64 -15.02 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -96.62 153.38 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 0.72 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 HG22 ' A' ' 22' ' ' THR . 66.6 p -99.11 147.07 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 26' ' ' VAL . 7.4 mt -56.66 -33.6 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -63.05 -43.11 99.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -18.53 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HB2' HD12 ' A' ' 61' ' ' ILE . 10.6 m-85 -97.95 -15.93 19.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.85 66.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -87.19 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.9 151.08 19.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.14 128.75 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 54.87 53.59 10.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -74.72 167.73 21.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.27 102.62 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -109.06 149.15 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 113.13 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 tp -98.08 95.87 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 42' ' ' ARG . 5.8 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.465 0.174 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.418 ' CG ' HG22 ' A' ' 14' ' ' THR . 15.1 tt0 -91.73 152.2 20.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.539 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -138.78 151.67 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 6.5 m-85 -119.15 100.04 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -91.11 147.33 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -106.61 144.61 33.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.65 166.58 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.408 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.15 -25.49 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 9' ' ' THR . 3.5 m -99.48 43.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.91 30.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 3.4 tttm -82.72 149.48 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 m -103.06 110.49 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 5' ' ' VAL . 62.3 mt -119.92 109.81 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.418 HG22 ' CG ' ' A' ' 2' ' ' GLN . 7.5 m -96.94 142.48 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.33 139.72 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.75 110.62 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' HD23 ' A' ' 15' ' ' LEU . 25.0 m -132.15 177.6 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.2 158.84 32.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -14.21 21.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -25.08 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.13 144.42 57.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.31 166.26 16.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 23' ' ' ILE . 14.2 mm -58.06 -40.07 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.27 -36.82 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.75 -43.02 80.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' THR . 18.6 t -63.75 -45.13 98.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 30' ' ' ILE . 21.4 mttt -61.89 -46.99 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.57 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.48 -42.04 88.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 27' ' ' LYS . 9.1 mt -62.87 -35.22 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -65.45 -60.52 2.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.12 -29.78 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -72.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -88.46 -58.53 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.62 35.72 0.68 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.4 mt -89.51 142.61 29.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.88 142.66 28.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.45 1.763 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.98 -24.89 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -68.31 -37.97 81.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 14.52 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.379 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.0 mm-40 -93.16 123.81 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.75 97.47 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.652 ' HB2' HD12 ' A' ' 50' ' ' LEU . 5.1 mt -97.67 119.62 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.3 148.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -153.02 116.9 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.89 26.22 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.34 -5.3 84.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.97 123.16 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.29 132.19 35.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 43' ' ' LEU . 7.1 mt -79.21 114.77 18.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -88.92 121.72 31.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -47.35 104.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.55 -16.28 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -96.59 151.35 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.608 0.828 . . . . 0.0 110.356 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 p -94.57 144.58 25.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 61' ' ' ILE . 10.8 mt -53.51 -37.15 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -63.19 -39.78 95.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.54 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -98.29 -9.03 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t30 59.28 63.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.7 mt -88.97 133.16 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -95.33 156.7 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.47 139.29 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 9.8 mt-10 54.81 50.93 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -74.9 148.31 40.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.42 101.58 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.472 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mp -108.83 146.54 33.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -107.12 116.6 32.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.662 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.54 97.72 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.44 0.162 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -87.09 148.77 25.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.0 pp -142.17 161.01 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.58 101.59 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.2 p -90.12 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.86 147.91 29.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.594 ' CG2' HD12 ' A' ' 13' ' ' ILE . 28.7 p -100.17 159.33 15.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -66.26 -6.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.8 m -98.63 -3.08 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 -4.06 83.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 7' ' ' THR . 0.9 OUTLIER -73.24 149.08 43.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -103.7 125.83 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.811 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.7 mt -125.33 116.8 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.474 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.1 m -95.79 143.52 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.26 134.42 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.96 120.08 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG11 HG13 ' A' ' 26' ' ' VAL . 25.9 m -140.19 -176.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.38 158.8 32.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.85 20.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -23.38 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.75 148.11 51.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 p -85.7 168.24 14.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.53 HD12 HD13 ' A' ' 50' ' ' LEU . 21.7 mm -61.61 -35.36 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -36.71 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.22 -43.34 86.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.949 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -63.99 -45.19 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.85 98.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.17 90.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -63.8 -41.66 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mt -64.09 -33.7 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 42.5 tt0 -65.19 -54.97 21.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -29.32 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -74.64 -74.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -60.7 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.55 -4.54 5.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.744 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.3 mt -78.63 142.63 61.89 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.744 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 152.52 41.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.02 -19.03 18.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.19 -42.67 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -91.75 4.34 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.7 tt0 -93.17 129.28 39.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.528 ' NH2' HG11 ' A' ' 70' ' ' VAL . 40.1 ttp180 -133.8 103.9 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.749 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.6 mt -97.71 126.75 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -108.51 136.54 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CB ' HD21 ' A' ' 50' ' ' LEU . 8.3 t80 -153.54 129.46 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.12 20.37 12.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 -6.57 72.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.113 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -108.59 147.5 31.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 142.49 35.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 43' ' ' LEU . 48.4 mt -72.12 114.87 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' ARG . 32.0 mt-10 -89.39 125.01 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -47.81 -51.25 23.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.35 -18.31 35.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLU . 26.9 mmt180 -96.71 143.69 27.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -96.62 164.03 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.949 HD11 HG21 ' A' ' 26' ' ' VAL . 15.6 mt -61.63 -41.84 98.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 t -62.02 -33.79 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -99.61 -4.55 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 54.68 56.9 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.549 HD13 HD22 ' A' ' 56' ' ' LEU . 6.8 mt -78.79 140.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.85 149.17 21.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 134.4 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.0 45.28 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -71.72 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.04 107.05 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.583 HD23 HD11 ' A' ' 50' ' ' LEU . 7.4 mp -109.23 145.91 35.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 115.1 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.59 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 7.7 tp -97.26 107.03 19.46 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.614 1.196 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG11 ' NH2' ' A' ' 42' ' ' ARG . 45.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.666 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 21.7 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.07 148.84 21.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -143.28 167.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.696 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.79 99.82 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -84.28 144.3 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.835 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.91 145.66 31.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.48 HG21 ' CD1' ' A' ' 13' ' ' ILE . 3.0 p -103.2 161.79 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.79 -5.62 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 t -98.37 2.09 47.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 110.337 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.69 -3.52 74.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 7' ' ' THR . 10.2 tttt -73.08 148.43 44.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -103.27 127.87 50.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 7' ' ' THR . 1.2 mp -125.39 119.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.696 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.9 m -96.42 142.73 28.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.763 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -138.04 128.81 26.83 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 107.96 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.763 ' CG1' HD12 ' A' ' 15' ' ' LEU . 21.0 m -132.24 -176.85 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.666 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.35 156.2 38.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -13.61 21.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -25.44 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.02 146.18 55.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 26' ' ' VAL . 31.7 p -85.8 169.67 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.487 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' ILE . 10.9 mm -57.57 -60.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -44.68 -31.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.22 -43.99 60.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 22' ' ' THR . 11.9 t -63.72 -43.35 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -63.85 -43.81 95.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.6 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 17' ' ' VAL . 13.8 tttt -65.0 -41.95 94.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.54 -36.2 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.6 tt0 -65.48 -58.59 5.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -26.88 33.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -74.58 -71.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -89.72 -58.13 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.36 35.93 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.7 mt -89.88 142.53 29.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 142.3 27.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.1 Cg_endo -75.02 -28.81 8.82 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.591 1.837 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -31.03 71.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.72 12.32 37.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.678 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.8 mm-40 -92.83 127.95 38.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 96.68 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -97.67 117.75 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -107.36 142.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE2' HG12 ' A' ' 61' ' ' ILE . 3.2 t80 -152.45 123.52 7.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.88 23.51 9.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.96 -13.09 64.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.96 128.54 46.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.805 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -84.67 131.65 34.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.24 107.05 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.1 137.74 32.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 106.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.2 -15.45 2.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 4.0 mmt180 -96.56 150.43 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.216 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -98.95 143.01 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 18' ' ' GLU . 14.0 mt -54.21 -39.99 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 t -63.43 -34.72 78.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -22.35 63.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 56.6 m-85 -100.71 -3.28 30.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 54.54 57.58 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 3' ' ' ILE . 5.8 mt -79.04 140.38 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -95.16 154.08 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 129.88 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 55.16 51.16 13.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -74.1 169.35 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.835 HG23 ' HE2' ' A' ' 6' ' ' LYS . 1.8 m -104.53 104.18 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -108.62 149.84 28.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 111.96 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.574 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 41' ' ' GLN . 3.8 tp -99.15 95.32 7.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG13 ' CD1' ' A' ' 8' ' ' LEU . 86.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.455 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 17.5 ptp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.462 0.172 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.411 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.3 tt0 -88.13 149.9 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.562 ' C ' HD12 ' A' ' 3' ' ' ILE . 1.3 pp -142.45 162.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.403 1.064 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.1 m-85 -118.37 101.06 7.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -90.42 146.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -106.55 148.9 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD12 ' A' ' 13' ' ' ILE . 65.5 p -103.86 160.27 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 70' ' ' VAL . 10.6 tp -66.43 -5.76 12.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.6 m -98.64 3.72 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 -7.44 61.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -72.54 148.67 44.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 m -103.28 128.92 50.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 7' ' ' THR . 92.7 mt -125.16 119.79 56.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.685 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.6 m -96.28 144.09 26.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.32 126.12 22.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 48.7 mt-10 -94.32 116.02 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.783 HG11 HG13 ' A' ' 26' ' ' VAL . 17.3 m -137.8 -179.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.6 mm-40 -107.13 161.13 23.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.363 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -13.44 21.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 p -89.1 -25.65 21.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.62 143.17 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.1 p -85.77 171.05 11.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.483 HG22 ' CD ' ' A' ' 27' ' ' LYS . 33.3 mm -58.42 -42.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.22 -37.37 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -44.87 88.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.783 HG13 HG11 ' A' ' 17' ' ' VAL . 4.0 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -62.92 -41.39 99.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.4 90.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.9 mttp -63.85 -43.62 95.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.8 mt -63.22 -32.98 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.4 tt0 -65.4 -67.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -25.02 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -78.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.19 -54.45 5.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.1 26.53 1.85 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.4 mt -89.51 141.64 28.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -75.02 149.11 36.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.2 Cg_endo -74.97 -24.82 12.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.382 1.727 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -36.71 80.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -96.22 12.44 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.59 ' OE1' HD13 ' A' ' 69' ' ' LEU . 4.7 mm-40 -92.97 125.81 37.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -133.83 97.31 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.39 119.43 35.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 42' ' ' ARG . 2.4 mp -107.99 147.89 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -152.76 105.93 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 47.29 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 8.74 51.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -108.03 114.05 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.74 128.09 33.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 HD23 ' A' ' 67' ' ' LEU . 6.9 mt -77.58 112.43 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE2' ' NH2' ' A' ' 54' ' ' ARG . 1.8 mp0 -86.13 116.53 24.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -47.39 104.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.79 -14.25 2.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 8.7 mtt180 -96.86 158.5 15.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 HG22 HG22 ' A' ' 22' ' ' THR . 74.4 p -99.0 147.17 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 18' ' ' GLU . 9.4 mt -59.12 -33.02 70.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -62.51 -46.6 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.87 -16.43 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 10.7 m-85 -98.07 -17.81 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.57 66.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.1 mp -88.8 142.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -94.74 154.08 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.33 124.69 10.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.11 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 55.26 51.01 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -66.73 166.87 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -102.52 100.73 10.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 7.0 mp -109.26 149.23 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 112.73 25.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.641 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.8 tp -95.1 90.45 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.734 HG23 HD13 ' A' ' 8' ' ' LEU . 7.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' VAL . 13.3 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -88.56 148.99 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -139.79 159.88 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.3 m-85 -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 69' ' ' LEU . 1.4 p -90.22 141.35 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.69 147.85 29.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.404 ' HB ' HG22 ' A' ' 9' ' ' THR . 5.3 m -99.79 169.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.0 HD13 HG13 ' A' ' 70' ' ' VAL . 12.8 tp -64.18 -12.44 40.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.404 HG22 ' HB ' ' A' ' 7' ' ' THR . 14.6 t -100.61 12.87 36.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.07 16.98 69.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -76.58 147.88 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.0 m -103.11 119.87 39.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.15 114.03 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.687 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.0 m -96.01 137.39 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 29' ' ' LYS . 11.1 tp -138.6 133.66 32.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.56 117.3 29.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 26' ' ' VAL . 10.6 m -137.11 179.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 mt-10 -107.57 159.55 29.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.96 21.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.456 1.766 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -24.66 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.9 143.68 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -85.86 167.44 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 50' ' ' LEU . 18.1 mm -59.78 -33.66 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.42 -34.59 78.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -69.56 -48.14 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 56' ' ' LEU . 36.5 t -63.83 -39.02 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 30' ' ' ILE . 3.9 mtmp? -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.35 93.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB3' HD21 ' A' ' 15' ' ' LEU . 16.0 mtpp -64.15 -45.01 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 27' ' ' LYS . 19.2 mt -63.08 -33.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 tt0 -65.74 -62.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.42 -32.26 17.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -77.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -62.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 120.45 14.98 5.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.088 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.417 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -88.85 144.38 32.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.06 151.59 39.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.0 -26.88 10.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.62 -38.49 80.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 12.49 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.3 mt-30 -93.59 135.57 34.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 90.2 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.575 ' CD2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.27 118.59 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.0 mt -105.62 140.46 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 6.1 t80 -152.92 123.1 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.55 19.28 9.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.55 -17.67 56.99 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -99.8 130.13 45.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.59 137.68 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 1.4 mt -79.3 104.72 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.18 135.79 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 28.8 t0 -48.03 111.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.57 -15.78 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 12.2 mmt180 -96.9 146.78 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -99.57 144.59 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD11 HG21 ' A' ' 26' ' ' VAL . 9.8 mt -54.42 -39.08 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -63.12 -38.71 92.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.068 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -20.36 63.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 54' ' ' ARG . 14.5 m-85 -99.61 -7.17 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 54.65 57.39 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 7.1 mt -78.99 144.32 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.62 151.85 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -50.18 131.53 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 54.98 53.69 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.9 m -75.46 168.15 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.09 102.08 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 5.2 mp -105.99 146.06 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 43' ' ' LEU . 6.0 tp -98.07 98.97 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.0 HG13 HD13 ' A' ' 8' ' ' LEU . 61.0 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.01 149.53 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.685 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -144.51 163.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.72 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.4 m-85 -118.17 99.01 6.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 13' ' ' ILE . 11.7 p -85.06 141.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 150.04 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -99.81 162.31 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -4.17 8.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.0 m -98.2 -25.32 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.66 -0.7 26.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -73.23 147.38 44.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.814 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.9 m -103.56 125.57 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.8 mm -125.41 116.5 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.72 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.72 139.68 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.03 136.4 36.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 15' ' ' LEU . 30.7 tt0 -98.93 119.49 37.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.63 -179.77 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.23 156.32 37.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.66 20.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -89.33 -16.88 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -71.1 148.46 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 74.9 p -85.52 170.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 50' ' ' LEU . 16.0 mm -62.69 -41.53 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -33.75 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.298 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.92 -46.21 68.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.952 HG21 HD11 ' A' ' 56' ' ' LEU . 49.1 t -63.81 -41.13 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.883 ' HG3' HD11 ' A' ' 43' ' ' LEU . 16.3 mtpt -66.07 -36.72 83.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.72 94.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.85 -49.99 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.76 -32.43 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' GLY . 39.3 tt0 -65.32 -56.95 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -25.81 66.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -75.11 -75.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.14 -56.06 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 124.74 4.34 7.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 89.7 mt -78.69 143.37 62.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 -31.4 6.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.95 -35.82 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 109.367 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 5.0 tp60 -90.82 4.33 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.572 ' HG3' HG22 ' A' ' 36' ' ' ILE . 26.1 mt-30 -93.79 136.12 34.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -133.48 100.53 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.883 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.1 mt -97.03 117.68 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -106.15 130.73 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 5.2 t80 -151.04 141.76 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 19.87 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.78 -10.73 61.57 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.91 145.53 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -80.94 142.63 33.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 43' ' ' LEU . 15.1 mt -74.83 121.07 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -88.54 112.82 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -47.16 103.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.01 -14.89 2.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.91 152.63 18.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -91.23 152.1 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.952 HD11 HG21 ' A' ' 26' ' ' VAL . 16.5 mt -61.36 -36.44 80.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.3 t -63.22 -37.9 89.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.08 -19.07 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -97.92 -3.58 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 45.0 t-20 54.79 53.29 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 56' ' ' LEU . 5.1 mt -82.62 138.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 21.2 mm-40 -98.22 149.65 22.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.9 ttpt -50.59 141.99 11.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 53.84 38.12 27.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.54 172.78 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.058 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -107.57 107.53 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.6 mp -109.2 142.63 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 114.28 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.681 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 12.8 tp -99.0 100.25 11.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.603 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.99 149.25 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 HD22 ' A' ' 67' ' ' LEU . 46.1 pt -144.5 163.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 5.9 m-85 -118.67 98.6 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.3 p -83.75 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -114.06 147.29 38.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -99.91 165.1 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.595 HD13 HG13 ' A' ' 70' ' ' VAL . 12.3 tp -63.93 -13.07 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' LYS . 9.5 t -100.78 20.8 14.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.8 23.93 61.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.565 1.165 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -83.73 146.32 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.358 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -103.62 114.74 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.785 ' O ' HG12 ' A' ' 5' ' ' VAL . 70.2 mt -125.08 120.15 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.0 m -95.79 149.6 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.953 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.52 134.49 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 pm0 -101.02 107.42 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.224 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.953 HG13 HD12 ' A' ' 15' ' ' LEU . 34.2 m -135.12 -179.78 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mm-40 -107.28 158.39 33.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.61 21.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 p -89.26 -24.3 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.27 146.69 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.1 p -85.46 175.0 9.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 50' ' ' LEU . 6.0 mm -67.56 -27.42 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -69.2 -42.9 75.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -44.57 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 56' ' ' LEU . 50.0 t -65.85 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -40.53 90.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -64.29 -41.47 96.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' GLU . 45.4 mt -64.74 -37.84 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.4 tt0 -62.74 -59.0 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -26.39 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -78.51 -72.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.29 -60.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.16 -4.3 5.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -78.72 142.55 61.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 153.58 41.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.09 -25.86 11.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -69.15 -43.37 74.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.55 13.71 15.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.385 1.053 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.598 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -94.08 134.47 36.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -133.63 98.29 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 69' ' ' LEU . 7.2 mt -97.32 121.45 39.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.75 136.68 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 7.6 t80 -151.45 124.17 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.42 20.05 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.9 -11.21 69.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -104.35 134.61 47.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 0.758 . . . . 0.0 109.212 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.46 140.86 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 23' ' ' ILE . 10.7 mt -76.21 118.38 18.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -89.08 120.02 30.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.03 103.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.15 -15.79 1.91 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -96.72 149.29 21.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -94.37 151.99 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 26' ' ' VAL . 4.5 mt -57.56 -37.57 73.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.25 -40.96 98.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.96 -20.63 58.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.83 -6.76 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 55.08 57.3 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mt -78.9 148.71 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.0 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -51.12 127.21 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 10.2 pt-20 48.91 48.3 20.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 20.6 t -64.62 172.82 2.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -105.03 107.06 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.0 mp -109.18 144.61 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -106.92 115.3 29.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.7 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -102.23 106.72 17.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG13 HD13 ' A' ' 8' ' ' LEU . 25.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.3 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.546 0.212 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -92.64 152.83 19.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pp -143.86 161.58 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.678 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.7 m-85 -118.96 119.66 34.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -108.31 155.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 143.71 44.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 13' ' ' ILE . 41.0 p -101.05 173.05 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.56 -15.09 57.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.641 ' O ' HG22 ' A' ' 9' ' ' THR . 6.4 m -98.93 24.86 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.4 20.27 5.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -83.83 151.21 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -102.97 122.26 44.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 7' ' ' THR . 48.3 mt -124.97 119.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.9 m -95.9 139.26 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -137.86 135.47 36.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.93 113.47 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.766 HG11 HG13 ' A' ' 26' ' ' VAL . 27.8 m -129.86 174.48 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -107.29 159.64 29.39 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.77 21.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -89.26 -19.42 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.99 142.88 45.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 26' ' ' VAL . 64.8 p -85.49 171.35 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.383 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG22 ' HD2' ' A' ' 27' ' ' LYS . 16.6 mm -58.16 -43.6 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.54 -32.97 70.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -48.48 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.766 HG13 HG11 ' A' ' 17' ' ' VAL . 17.2 t -63.91 -37.26 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 23' ' ' ILE . 8.2 mttp -66.19 -47.13 74.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.62 74.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.7 mttt -64.93 -44.68 88.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.563 HG23 ' CD ' ' A' ' 34' ' ' GLU . 26.1 mt -64.06 -33.4 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.5 tt0 -65.25 -63.09 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -22.42 60.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.39 -74.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.563 ' CD ' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -71.3 -56.69 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.11 0.63 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 14.6 mt -78.28 143.36 64.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.804 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.04 152.23 40.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.92 -26.19 11.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -44.02 73.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.83 20.03 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 1.9 mt-30 -94.08 133.6 37.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 12.2 ttt180 -133.43 89.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD2' HD13 ' A' ' 69' ' ' LEU . 3.5 mt -97.22 121.39 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.28 143.06 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.936 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -152.79 120.15 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.09 13.58 8.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.21 -4.1 70.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.33 137.41 45.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.33 139.0 36.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 43' ' ' LEU . 18.2 mt -75.44 115.91 15.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 112.86 24.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.13 104.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.93 -14.43 2.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.3 mtt-85 -96.68 150.84 20.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.5 p -99.06 150.47 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.8 mt -62.37 -28.13 69.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 t -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.48 -15.17 24.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.52 -14.28 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 54.9 69.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 ' CE2' ' A' ' 45' ' ' PHE . 17.0 mm -88.02 142.68 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.03 145.8 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -50.67 133.07 26.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 54.55 53.85 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -75.19 166.5 23.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -107.18 100.63 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.3 mp -109.13 145.17 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.46 110.19 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 43' ' ' LEU . 4.0 tp -96.64 93.75 6.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 3.6 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.462 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.22 149.46 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -139.06 163.05 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 14' ' ' THR . 9.0 m-85 -118.68 103.0 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.8 p -88.87 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.15 145.05 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' THR . 5.6 p -100.71 159.64 15.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.46 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -3.1 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' THR . 91.3 m -98.1 -9.92 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.95 -6.45 69.5 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.14 149.59 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -103.55 127.58 50.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.804 ' O ' HG12 ' A' ' 5' ' ' VAL . 29.5 mm -125.44 117.14 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.558 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.0 m -95.96 142.26 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.35 132.28 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -97.11 113.62 25.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG11 HG13 ' A' ' 26' ' ' VAL . 33.8 m -132.95 177.45 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' HD12 ' A' ' 56' ' ' LEU . 4.0 mt-10 -107.43 160.95 24.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.64 20.64 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -89.29 -24.24 22.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.54 143.13 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 p -85.69 173.64 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 50' ' ' LEU . 12.3 mm -61.78 -36.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.3 pt-20 -63.69 -37.86 88.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 t-20 -67.35 -44.3 79.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 17' ' ' VAL . 59.6 t -64.0 -43.09 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -63.88 -42.06 97.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.1 88.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -42.41 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG21 HE22 ' A' ' 41' ' ' GLN . 50.8 mt -63.16 -33.96 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.0 tt0 -65.48 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.22 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.89 -27.4 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -74.8 -78.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -56.88 4.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.03 28.93 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.8 mt -89.72 142.47 29.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.97 145.65 31.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -26.2 11.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -68.19 -42.63 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.12 14.9 12.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.677 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.7 mm-40 -93.14 124.62 37.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -133.47 97.58 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.677 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.0 mt -97.4 120.6 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.82 141.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.769 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -154.48 126.4 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.6 17.92 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.54 -12.23 70.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -103.68 137.11 42.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.6 141.72 31.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.197 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' ILE . 14.2 mt -75.85 119.96 20.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.06 115.56 26.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -47.27 103.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.46 -14.83 2.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -96.84 146.7 24.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.5 p -90.27 149.72 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 26' ' ' VAL . 5.7 mt -61.91 -28.77 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -62.44 -50.85 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.39 -13.22 37.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -97.84 -13.62 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 54.95 60.38 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.769 HD12 ' CE2' ' A' ' 45' ' ' PHE . 9.6 mm -78.91 146.39 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.88 145.54 24.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.43 125.19 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 54.8 49.28 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -72.09 172.51 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -107.11 107.91 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.7 mp -108.76 149.79 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -107.16 110.59 22.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.615 1.197 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 ' OE1' ' A' ' 41' ' ' GLN . 5.9 tp -94.63 98.88 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.953 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.2 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.418 0.151 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -95.12 152.07 18.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.59 157.5 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -120.22 105.9 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.2 p -95.62 152.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.379 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -107.9 148.57 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.5 p -105.77 167.17 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.55 -15.71 58.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 9' ' ' THR . 2.9 m -99.21 24.64 7.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.78 18.23 7.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.07 150.9 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -99.71 124.34 44.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 5' ' ' VAL . 18.9 mm -125.23 113.96 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.71 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.4 m -95.92 140.12 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.26 134.22 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -100.89 109.82 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -130.01 178.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.35 160.33 26.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.71 21.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -24.7 22.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.79 145.31 54.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.1 p -85.71 173.0 10.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.621 HD11 HD13 ' A' ' 50' ' ' LEU . 5.4 mm -62.54 -37.75 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -37.13 85.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -45.9 74.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 17' ' ' VAL . 86.3 t -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HG3' HD11 ' A' ' 43' ' ' LEU . 1.7 mtpt -66.09 -42.75 88.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.37 81.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.55 -45.97 81.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' GLU . 20.6 mt -63.39 -35.72 73.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.3 tt0 -65.29 -58.44 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -32.51 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -76.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.95 -61.57 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.09 10.29 6.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.1 mt -87.61 142.79 33.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 158.18 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -25.95 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.432 1.754 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -68.94 -38.68 79.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.99 5.64 49.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HG2' HD21 ' A' ' 43' ' ' LEU . 1.8 tt0 -93.45 128.08 39.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -134.05 100.56 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.3 mt -97.76 121.39 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 mm -109.18 142.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t80 -151.62 117.79 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.76 33.54 23.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.46 0.98 59.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -101.19 124.56 47.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.02 125.19 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.621 HD13 HD11 ' A' ' 23' ' ' ILE . 8.0 mt -79.58 103.04 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 135.46 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.349 1.03 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.12 108.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.86 -17.73 2.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -96.7 142.95 28.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 p -98.88 153.55 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 61' ' ' ILE . 3.7 mt -61.22 -28.24 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -63.14 -54.67 34.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.923 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.1 -17.34 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.5 m-85 -97.58 -15.81 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 54.86 66.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -83.69 144.2 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.23 152.48 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 127.98 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 54.88 49.74 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -67.81 168.13 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.36 98.36 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 mp -104.69 149.91 25.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.07 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.537 ' HB2' HG21 ' A' ' 5' ' ' VAL . 11.2 tp -97.97 90.13 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.0 ptp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -87.66 149.79 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -142.97 161.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.67 103.79 10.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.6 p -92.48 147.21 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -108.58 155.12 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 9' ' ' THR . 3.8 m -99.98 164.53 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 70' ' ' VAL . 13.1 tp -64.62 -11.39 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 11' ' ' LYS . 15.0 t -99.97 -10.95 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.05 13.09 43.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 9' ' ' THR . 7.9 mtpt -75.06 151.09 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 m -103.39 117.87 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.743 ' O ' HG12 ' A' ' 5' ' ' VAL . 45.1 mt -125.07 113.4 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 4' ' ' PHE . 13.9 m -95.74 143.4 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.64 134.55 33.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -99.24 119.67 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG13 ' A' ' 26' ' ' VAL . 14.8 m -140.11 178.59 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.4 mt-10 -107.4 161.34 23.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -15.82 20.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.29 -24.59 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.24 143.91 56.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.38 171.93 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.648 HD12 HD13 ' A' ' 50' ' ' LEU . 27.7 mm -59.46 -49.57 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -54.62 -36.72 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -65.64 -44.33 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -63.71 -44.57 98.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -63.13 -41.04 99.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.07 88.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -64.45 -43.9 92.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.1 mt -63.76 -34.91 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLY . 34.9 tt0 -65.09 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -31.1 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -77.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.71 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.52 -0.54 6.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 37' ' ' PRO . 20.0 mt -78.8 143.02 61.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 152.45 40.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.1 -18.28 18.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.47 -42.12 79.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -91.46 0.79 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 2.6 tt0 -93.21 126.0 38.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -133.84 103.83 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.3 mt -97.55 122.89 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -104.54 144.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.2 t80 -152.5 130.17 11.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.17 16.82 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 -12.8 68.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.31 136.69 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.774 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -79.17 140.93 37.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD13 HD12 ' A' ' 23' ' ' ILE . 13.4 mt -75.92 117.13 17.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.28 114.63 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.19 104.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.68 -15.94 2.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -96.81 155.88 16.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 p -99.28 148.02 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 26' ' ' VAL . 1.5 mt -57.27 -31.91 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.7 t -63.19 -41.92 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.041 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -18.51 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.628 ' HB2' HD12 ' A' ' 61' ' ' ILE . 26.0 m-85 -98.3 -10.03 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 55.45 59.87 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -82.05 142.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.75 153.51 17.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.47 130.01 23.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.6 mp0 54.91 53.3 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -72.1 170.96 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.42 104.61 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.2 mp -108.94 146.2 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -107.11 114.73 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tp -94.95 104.05 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 8' ' ' LEU . 8.5 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.504 0.192 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.92 149.08 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.9 157.44 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.54 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.71 99.41 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 13' ' ' ILE . 10.2 p -88.88 143.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 150.88 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' HD12 ' A' ' 13' ' ' ILE . 47.1 p -99.95 164.06 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.905 ' CD1' HG22 ' A' ' 70' ' ' VAL . 1.6 tp -66.34 -6.21 13.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -98.52 -21.47 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.93 3.66 34.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -73.55 146.67 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -103.13 121.47 42.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.766 ' O ' HG12 ' A' ' 5' ' ' VAL . 26.8 mt -125.26 117.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 4' ' ' PHE . 22.4 m -95.67 146.22 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.966 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -138.27 136.47 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.5 pt-20 -100.95 112.3 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.966 HG13 HD12 ' A' ' 15' ' ' LEU . 22.8 m -135.11 -177.68 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -107.2 158.17 33.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -14.97 20.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.36 -24.13 22.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.933 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 146.47 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.5 p -85.71 169.52 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.9 mm -62.68 -32.67 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.24 -38.74 85.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -47.87 72.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 56' ' ' LEU . 93.1 t -64.0 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG2' HD11 ' A' ' 43' ' ' LEU . 9.1 mtmt -65.17 -40.84 94.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.2 96.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.34 97.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.99 -35.88 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 tt0 -64.91 -52.42 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -31.06 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.12 -72.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.21 -61.29 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.88 -6.27 6.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.0 mp -79.7 142.65 57.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.09 154.24 41.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.92 -23.22 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.66 -44.39 74.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.9 19.42 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 8.0 mt-30 -93.43 138.65 31.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.71 84.51 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -97.13 124.12 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -109.67 144.41 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.877 ' HB2' HD21 ' A' ' 50' ' ' LEU . 11.1 t80 -159.41 125.32 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.37 20.72 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.74 -7.22 77.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.56 146.05 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -79.03 142.16 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 ' HB2' ' A' ' 45' ' ' PHE . 19.1 mt -68.92 110.85 4.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -89.2 126.09 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -51.49 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -19.03 26.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -97.0 141.21 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 p -98.01 167.69 10.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 26' ' ' VAL . 14.3 mt -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 t -61.79 -37.11 83.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -19.94 64.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -98.72 -5.89 30.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.3 t30 56.95 54.5 6.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 ' CE2' ' A' ' 45' ' ' PHE . 11.8 mt -80.87 139.61 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -94.89 156.88 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 130.57 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mp0 54.48 54.67 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HG23 ' A' ' 61' ' ' ILE . 7.8 m -75.23 166.83 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -103.44 105.93 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 4.0 mp -109.07 145.54 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -107.06 109.26 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.636 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 43' ' ' LEU . 5.7 tp -94.03 112.21 24.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 8' ' ' LEU . 3.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -92.1 146.64 23.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -137.35 160.63 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' HG2' ' A' ' 64' ' ' GLU . 5.9 m-85 -120.82 108.93 14.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.69 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -108.44 157.35 18.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 9' ' ' THR . 4.9 m -99.86 166.22 11.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -64.95 -10.75 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.488 HG23 ' HG3' ' A' ' 11' ' ' LYS . 14.8 t -99.9 -22.13 15.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 11.49 17.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' THR . 14.9 mttt -73.81 147.72 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -103.39 119.51 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -125.07 115.76 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.5 m -95.77 143.01 27.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -138.26 138.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.21 118.47 37.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 26' ' ' VAL . 22.8 m -140.32 176.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -107.28 161.67 22.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.09 21.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -89.24 -25.43 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.46 143.35 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . 47.5 p -85.58 170.15 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD13 ' A' ' 50' ' ' LEU . 11.2 mm -58.6 -40.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -36.86 81.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.205 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.71 -45.28 83.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 56' ' ' LEU . 18.6 t -63.7 -44.96 98.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -61.71 -42.04 98.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.7 88.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.809 ' HB3' HD21 ' A' ' 15' ' ' LEU . 7.1 mttt -63.9 -41.0 97.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.601 HG13 HD22 ' A' ' 15' ' ' LEU . 23.4 mt -64.4 -35.57 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.8 tt0 -64.42 -59.39 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -26.81 63.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -75.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -68.53 -59.26 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.76 -3.74 5.36 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.784 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.8 mt -78.41 143.57 64.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.425 0.72 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.03 152.21 40.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.393 1.733 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.98 -18.14 19.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.87 -43.95 74.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.02 17.73 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 110.23 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 38' ' ' PRO . 12.7 mt-30 -93.77 131.36 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' C ' HD23 ' A' ' 43' ' ' LEU . 14.6 ttm-85 -133.9 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . 4.8 mt -96.62 120.66 37.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.37 141.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.1 t80 -151.76 118.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.63 23.08 12.87 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.48 -0.89 88.49 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -108.52 134.8 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 132.34 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 43' ' ' LEU . 11.6 mt -70.3 113.51 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 118.24 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 -14.65 2.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -96.43 144.23 26.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -93.43 143.76 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -55.16 -35.4 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.361 1.038 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -62.88 -48.0 80.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 -12.92 42.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -97.91 -16.07 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 65.02 59.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.783 HD12 ' CE2' ' A' ' 45' ' ' PHE . 15.7 mm -81.94 140.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -96.82 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.85 129.22 22.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.7 mp0 54.52 55.19 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.234 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.498 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.7 p -70.82 156.79 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 50' ' ' LEU . 5.7 mp -109.28 146.57 34.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -106.75 113.38 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.45 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 8' ' ' LEU . 83.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.8 ptp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -89.48 150.36 22.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.858 HD13 HD13 ' A' ' 67' ' ' LEU . 1.6 pp -140.81 156.86 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.681 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.6 m-85 -119.26 108.1 14.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -97.8 150.79 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.8 148.53 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' LYS . 24.7 p -101.35 162.98 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -66.32 -6.65 14.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 m -98.51 -5.67 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.09 81.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 7' ' ' THR . 1.0 OUTLIER -73.05 148.69 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -103.59 130.5 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.0 mt -125.37 123.51 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.681 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.3 m -98.59 138.89 35.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.38 135.14 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' N ' HD13 ' A' ' 15' ' ' LEU . 18.1 tt0 -100.45 119.11 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 15' ' ' LEU . 35.5 m -136.68 179.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.3 156.82 36.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.97 21.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -25.02 21.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.44 146.56 54.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.3 p -85.43 171.69 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 50' ' ' LEU . 22.2 mm -57.93 -53.47 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.94 -36.93 50.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -44.34 90.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 56' ' ' LEU . 60.8 t -63.54 -44.95 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -37.04 85.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.85 98.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 15' ' ' LEU . 31.6 tttt -63.68 -46.94 83.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' OE1' ' A' ' 34' ' ' GLU . 25.2 mt -63.14 -32.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 33.0 tt0 -65.37 -63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -27.82 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -78.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' OE1' ' CG2' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -68.98 -58.1 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.48 19.09 3.54 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.9 mt -89.24 142.97 30.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.217 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.03 148.23 34.89 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.514 1.797 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.01 -23.11 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -68.75 -39.4 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.235 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -93.77 6.79 47.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.32 130.53 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -133.93 100.6 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.86 120.72 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -104.51 142.05 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.4 t80 -154.5 125.32 7.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.91 17.41 7.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -4.37 82.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.96 137.99 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.216 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.73 136.41 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 HD12 ' A' ' 23' ' ' ILE . 21.0 mt -71.56 116.05 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.04 114.5 25.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -47.06 105.68 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.82 -12.47 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.51 154.8 17.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -97.18 144.39 27.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 26' ' ' VAL . 26.6 mt -58.03 -36.35 72.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -61.81 -45.85 92.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -14.06 50.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -98.68 -11.95 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.92 61.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 45' ' ' PHE . 5.9 mm -87.9 135.95 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -96.05 153.45 17.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 130.75 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.73 55.13 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 m -74.08 168.25 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -106.75 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 3' ' ' ILE . 5.1 mp -105.21 148.02 27.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -107.37 112.16 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 41' ' ' GLN . 8.3 tp -95.11 97.73 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 8' ' ' LEU . 74.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -89.28 149.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.74 167.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 m-85 -117.67 99.24 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 13' ' ' ILE . 2.1 p -89.37 147.06 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.82 156.93 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.71 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.92 162.33 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.45 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.624 HD11 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.23 -6.53 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -98.45 -14.94 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 1.16 55.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.67 42.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -103.17 121.74 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.71 HD13 HG23 ' A' ' 7' ' ' THR . 3.6 mp -125.36 120.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.532 HG23 ' CD1' ' A' ' 4' ' ' PHE . 14.3 m -97.05 145.25 26.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD12 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.26 130.71 33.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.3 pt-20 -100.38 107.58 19.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG13 HD12 ' A' ' 15' ' ' LEU . 15.1 m -129.83 -178.56 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -107.39 160.03 28.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -13.64 21.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.567 1.825 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.37 -22.7 22.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 109.986 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 144.39 54.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 26' ' ' VAL . 76.0 p -85.66 170.2 12.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.537 ' CD1' HD13 ' A' ' 50' ' ' LEU . 23.1 mm -58.04 -47.18 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.9 -39.99 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.09 -42.34 99.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 22' ' ' THR . 9.2 t -63.73 -48.82 84.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.67 -40.85 89.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.81 -40.31 96.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.2 mt -62.8 -36.53 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.1 tt0 -65.44 -60.51 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -30.76 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 10.3 tttt -75.01 -74.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.17 -59.71 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.37 34.43 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.0 mt -89.66 142.62 29.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 143.03 28.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.02 -25.84 11.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.33 -33.5 74.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.12 14.47 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.525 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.3 mm-40 -93.18 124.95 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.58 97.26 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.6 mt -97.17 120.28 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.93 142.04 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -154.74 130.76 10.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.76 20.86 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.369 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -11.29 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -103.51 139.01 39.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 0.701 . . . . 0.0 109.325 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -82.7 140.35 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 23' ' ' ILE . 10.7 mt -73.65 121.46 20.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.73 111.73 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 p-10 -47.1 102.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.21 -16.27 1.9 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -96.83 156.64 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.99 146.06 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 61' ' ' ILE . 4.0 mt -52.35 -31.92 35.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -17.08 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 36.6 m-85 -99.0 -8.63 25.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.68 50.89 14.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -79.57 140.77 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.81 149.48 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -50.93 141.53 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.34 46.38 26.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 171.63 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.69 104.35 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.9 mp -109.43 143.31 39.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.47 112.0 24.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.626 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -95.46 101.33 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.624 HG13 HD11 ' A' ' 8' ' ' LEU . 91.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.54 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.489 0.185 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 37.6 tt0 -92.95 149.55 21.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.86 171.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.74 101.63 8.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.449 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -89.02 139.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.72 28.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -99.88 169.38 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.872 HD13 HG13 ' A' ' 70' ' ' VAL . 12.2 tp -64.25 -12.32 40.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 1.1 t -100.63 15.49 27.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.03 63.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 8.3 tttt -74.46 145.94 43.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -103.12 114.2 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.92 118.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 4' ' ' PHE . 17.0 m -96.01 145.3 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.21 130.42 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -97.61 108.06 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 15' ' ' LEU . 20.2 m -130.94 -178.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.26 159.27 30.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -15.16 21.1 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -23.33 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.8 146.72 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -85.53 171.72 11.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.672 HG22 ' HE3' ' A' ' 27' ' ' LYS . 17.6 mm -60.98 -44.17 97.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -31.59 71.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.53 -49.45 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.783 HG21 HD11 ' A' ' 56' ' ' LEU . 59.4 t -63.73 -38.61 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HE3' HG22 ' A' ' 23' ' ' ILE . 3.7 mtmp? -66.38 -41.77 88.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.95 91.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.92 -45.31 89.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' GLU . 17.7 mt -63.99 -35.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.2 tt0 -65.36 -58.26 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -54.5 -31.61 56.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -75.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ILE . 12.2 mm-40 -62.71 -63.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.36 -1.05 6.54 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.514 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.2 mt -78.72 136.82 58.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 156.78 42.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -13.61 21.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.43 -50.04 49.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.0 22.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.245 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.922 ' OE1' HD21 ' A' ' 43' ' ' LEU . 5.1 mm-40 -93.6 128.03 39.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -133.72 92.91 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.3 mt -97.18 117.64 31.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.7 140.2 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -151.5 129.23 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 23.87 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.206 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 -4.41 83.42 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -106.46 133.65 50.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.46 138.42 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 45' ' ' PHE . 6.6 mt -78.44 115.34 18.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.09 120.62 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -48.1 105.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.61 -13.46 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -96.7 156.12 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 p -98.52 151.58 20.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.783 HD11 HG21 ' A' ' 26' ' ' VAL . 25.4 mt -61.06 -38.68 87.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -63.52 -37.03 85.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.18 -19.43 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -98.37 -2.89 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 54.72 50.02 16.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.379 1.049 . . . . 0.0 109.357 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 63.8 mt -83.02 138.22 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -95.93 153.22 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.4 142.54 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.7 mt-10 53.67 46.11 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 171.17 14.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.47 103.37 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.22 139.6 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.52 107.64 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -95.92 101.48 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 8' ' ' LEU . 69.8 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.482 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 14.4 ptp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.479 0.181 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 34.0 tt0 -90.97 149.08 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.644 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -141.85 167.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.524 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.2 m-85 -118.83 102.2 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.21 139.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -106.97 146.04 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.574 ' OG1' HD13 ' A' ' 13' ' ' ILE . 20.9 m -99.9 170.53 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.3 tp -63.77 -13.17 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 9' ' ' THR . 43.8 m -100.67 28.51 5.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.58 4.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -82.07 147.89 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 m -103.17 118.8 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' OG1' ' A' ' 7' ' ' THR . 4.1 mp -125.14 115.13 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.524 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.5 m -95.74 140.02 31.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -137.93 128.92 27.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.17 120.35 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.52 HG11 HG13 ' A' ' 26' ' ' VAL . 17.9 m -140.13 178.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.07 161.62 22.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -15.02 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -24.33 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.81 144.43 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.2 p -85.58 170.75 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' HA ' HD13 ' A' ' 23' ' ' ILE . 8.3 mm -62.57 -42.23 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -35.12 76.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.6 73.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 56' ' ' LEU . 43.5 t -63.85 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -65.37 -42.08 93.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.8 85.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.2 mttp -63.85 -47.85 79.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.594 HG12 HD13 ' A' ' 15' ' ' LEU . 31.3 mt -64.01 -32.76 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 37' ' ' PRO . 49.2 tt0 -65.24 -55.47 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -30.53 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -74.86 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.15 -61.68 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.42 -2.37 6.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.777 HG23 ' HD2' ' A' ' 37' ' ' PRO . 22.4 mt -78.75 143.31 62.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.777 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.92 154.88 43.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.03 -23.41 13.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -68.36 -32.23 72.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -99.29 13.74 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 17.9 mt-30 -93.56 134.56 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.619 ' HG2' HD11 ' A' ' 44' ' ' ILE . 2.6 ttm-85 -133.74 93.47 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.708 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.6 mt -97.05 120.0 36.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' ARG . 8.5 mm -107.77 141.09 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -151.0 114.65 4.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 42.81 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.47 9.36 43.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 123.75 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -78.97 130.84 35.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 43' ' ' LEU . 22.8 mt -75.08 113.5 12.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 1.8 mp0 -89.09 113.78 24.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -46.93 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.08 -13.64 2.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ILE . 4.3 mpt_? -96.72 154.78 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -97.18 144.75 26.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 10.9 mt -55.5 -34.92 65.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 t -63.11 -41.14 99.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.28 61.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 8.2 m-85 -99.71 -15.63 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 65.02 64.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 59' ' ' TYR . 1.2 mp -88.99 140.01 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -95.85 156.69 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.18 130.24 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 54.44 54.32 9.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -72.81 169.36 16.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.16 103.2 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.11 143.29 38.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.89 105.82 16.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.638 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 tp -94.65 95.86 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 4.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' VAL . 8.5 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.177 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -89.18 149.26 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.581 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -139.03 161.69 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.67 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.5 m-85 -118.85 102.41 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.8 148.47 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.72 153.01 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.745 ' OG1' HD13 ' A' ' 13' ' ' ILE . 2.6 m -100.93 167.53 10.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.608 1.192 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -64.23 -17.24 63.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.1 t -98.77 6.03 47.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 24.04 66.92 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -82.15 154.94 25.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.566 ' C ' HD12 ' A' ' 13' ' ' ILE . 21.1 m -103.74 118.04 35.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' OG1' ' A' ' 7' ' ' THR . 2.7 mp -125.29 111.14 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.67 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -95.74 139.36 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.25 134.58 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -96.17 111.92 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 26' ' ' VAL . 35.3 m -129.84 176.82 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -107.48 161.33 23.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -14.1 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.761 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -89.46 -25.14 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.77 141.69 57.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.4 p -86.04 175.12 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 23' ' ' ILE . 28.9 mm -60.04 -47.93 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 1.8 pt-20 -56.71 -29.88 62.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -71.47 -46.96 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 17' ' ' VAL . 22.0 t -64.05 -37.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -66.15 -49.94 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.8 mttt -66.97 -45.38 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 HD22 ' A' ' 15' ' ' LEU . 35.1 mt -62.37 -34.21 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLY . 28.5 tt0 -65.65 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -28.74 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -79.9 -58.49 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.38 32.7 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 37' ' ' PRO . 27.6 mm -90.0 143.04 29.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.02 147.37 33.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.01 -31.71 5.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -37.73 79.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -91.39 8.51 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -93.58 132.29 38.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.85 99.15 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.5 mt -97.78 118.06 33.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.83 142.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 t80 -150.97 113.43 4.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.87 40.72 32.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 6.17 52.43 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -104.45 122.92 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.08 126.04 30.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 43' ' ' LEU . 16.2 mt -73.17 112.61 9.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.08 116.19 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -47.17 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.87 -10.88 3.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -96.42 153.9 17.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.74 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 p -98.67 141.95 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mt -56.36 -34.75 66.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -62.8 -41.65 99.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -17.75 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 61' ' ' ILE . 17.0 m-85 -98.5 -13.73 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.24 64.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 56' ' ' LEU . 1.2 mt -88.58 140.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.59 152.41 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.39 131.01 24.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.85 55.36 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -75.52 171.03 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.23 100.75 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.6 mp -108.19 147.0 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.45 115.86 30.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -101.46 94.24 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 9.1 ptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.538 0.208 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.59 154.3 20.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.529 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -148.46 164.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.79 101.87 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.1 p -91.19 145.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.98 24.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.9 p -99.74 166.59 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD21 HG23 ' A' ' 70' ' ' VAL . 2.6 mt -65.35 -8.7 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -99.36 -5.96 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.53 7.27 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -73.7 150.52 41.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 m -102.88 120.96 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 5' ' ' VAL . 61.8 mt -125.09 118.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.705 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.5 m -95.89 141.35 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.42 134.87 34.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -99.19 119.81 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD23 ' A' ' 15' ' ' LEU . 27.8 m -140.08 177.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.33 160.85 25.04 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.94 21.24 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.604 1.844 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -89.29 -25.29 21.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.7 144.16 57.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 p -85.49 171.28 11.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 HD13 ' A' ' 50' ' ' LEU . 4.8 mm -61.18 -39.3 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -35.73 81.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -66.63 -47.27 73.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 56' ' ' LEU . 48.2 t -63.84 -41.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.5 mtmt -61.96 -48.54 79.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.16 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.5 mttm -64.15 -41.94 96.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 27' ' ' LYS . 10.8 mt -62.82 -38.03 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.3 tt0 -65.38 -58.84 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 -31.03 14.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -72.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.74 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.64 19.84 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.4 mt -89.18 143.14 30.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.95 154.51 42.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.97 -27.52 10.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -38.31 79.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -91.14 4.33 52.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.8 tt0 -93.35 127.99 39.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.55 105.71 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.731 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.7 mt -97.66 122.49 40.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -107.81 132.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.0 129.52 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.3 20.27 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.24 50.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.32 140.87 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -82.06 142.85 31.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.3 mt -76.48 122.15 24.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.18 114.36 23.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -46.83 104.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.11 -13.32 2.82 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 145.12 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 144.52 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -54.79 -31.91 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.8 t -62.97 -46.92 85.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.072 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -15.54 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.497 ' CB ' HD12 ' A' ' 61' ' ' ILE . 3.6 m-85 -98.57 -12.37 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 57.11 65.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.497 HD12 ' CB ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -85.87 145.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.76 153.87 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 125.33 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 54.65 53.28 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -69.82 166.6 19.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -101.68 103.51 14.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.11 144.0 37.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -107.1 116.7 32.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 0.0 109.644 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD11 ' HG3' ' A' ' 41' ' ' GLN . 10.8 tp -100.0 95.49 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 HD21 ' A' ' 8' ' ' LEU . 8.8 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.9 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.45 0.167 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.75 147.9 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.468 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.71 162.16 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.98 110.44 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 67' ' ' LEU . 3.9 p -102.33 139.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -107.49 145.24 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.73 HG23 HD13 ' A' ' 13' ' ' ILE . 26.3 p -99.79 173.25 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 70' ' ' VAL . 11.4 tp -65.22 -9.59 24.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.9 m -99.18 22.04 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.17 8.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.2 146.99 27.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 13' ' ' ILE . 8.6 m -103.28 121.99 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.73 HD13 HG23 ' A' ' 7' ' ' THR . 4.2 mp -125.08 118.93 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.4 m -95.65 143.66 26.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.512 HD11 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -138.1 125.47 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.68 114.92 26.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 HG13 ' A' ' 26' ' ' VAL . 29.8 m -138.8 -175.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt-10 -107.25 159.26 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.62 21.37 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -89.21 -24.44 22.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.06 144.07 56.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.5 p -85.65 171.42 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.461 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD13 ' A' ' 50' ' ' LEU . 40.1 mm -57.73 -57.0 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -36.61 14.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -44.31 87.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 22' ' ' THR . 4.1 t -63.19 -49.07 84.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -59.51 -38.91 82.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.41 95.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.64 -41.43 98.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' LYS . 12.8 mt -62.74 -35.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.1 tt0 -65.32 -63.07 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -29.28 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 15' ' ' LEU . 1.1 mtpt -75.93 -76.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.98 -58.22 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.7 21.46 2.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 41' ' ' GLN . 9.0 mt -89.3 138.14 28.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 151.61 40.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -31.2 6.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -68.27 -24.96 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -93.5 -41.48 9.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 pt20 -82.76 137.51 34.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.561 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.68 113.97 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.737 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -99.44 121.6 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.16 153.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -158.25 130.21 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 20.39 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.05 -6.69 80.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.74 137.05 44.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 0.817 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -79.16 135.56 36.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 43' ' ' LEU . 27.6 mt -68.98 114.99 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -89.1 115.79 26.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.228 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -47.22 105.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.08 -12.67 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.45 154.66 17.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 0.795 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -98.99 144.11 28.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 12.6 mt -53.15 -36.57 61.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 t -63.05 -41.89 99.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.4 58.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.9 m-85 -98.19 -8.53 27.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.6 59.68 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.2 mt -81.37 138.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -98.23 158.65 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -50.53 132.73 25.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 54.49 55.25 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.4 p -74.64 151.73 39.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -97.23 109.92 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mp -109.17 146.99 33.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 110.33 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tp -98.8 103.74 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 8' ' ' LEU . 2.5 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptp . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -86.47 150.76 24.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.53 161.34 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 14' ' ' THR . 8.7 m-85 -118.94 98.88 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 69' ' ' LEU . 2.6 p -86.27 137.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.03 145.45 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -99.84 169.89 8.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.07 -12.83 42.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.596 ' O ' HG22 ' A' ' 9' ' ' THR . 28.0 m -100.7 28.76 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.03 23.13 5.25 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -83.16 145.8 29.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 0.81 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -103.4 118.63 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.874 HD13 ' OE2' ' A' ' 34' ' ' GLU . 84.9 mt -124.9 117.16 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.708 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.6 m -96.18 138.83 33.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.491 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 30' ' ' ILE . 9.4 tp -138.35 134.93 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.393 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -97.46 118.29 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.759 HG11 HG13 ' A' ' 26' ' ' VAL . 13.0 m -138.71 -178.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.56 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -107.49 158.87 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.338 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.35 21.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -89.31 -23.66 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.088 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.96 142.89 54.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.2 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.5 p -85.97 167.1 15.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.78 -28.71 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 1.7 tt0 -67.37 -41.11 85.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.92 -46.42 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.759 HG13 HG11 ' A' ' 17' ' ' VAL . 21.0 t -64.01 -41.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' CD ' HG22 ' A' ' 23' ' ' ILE . 33.2 mtpt -62.53 -45.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.59 78.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.7 mt -63.29 -34.89 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.2 tt0 -65.66 -60.94 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -32.14 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.387 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -74.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.874 ' OE2' HD13 ' A' ' 13' ' ' ILE . 3.1 mt-10 -66.23 -63.65 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 126.47 4.5 6.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.5 mt -78.4 143.06 63.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 -30.92 6.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.29 -38.22 81.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -90.78 12.1 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 4.0 mt-30 -93.62 139.49 30.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -133.89 88.93 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HB2' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -97.3 121.59 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.226 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HD11 HH11 ' A' ' 42' ' ' ARG . 18.2 mt -111.27 142.42 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -157.23 126.57 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 13.0 8.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 3.5 78.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -110.0 151.07 27.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -83.91 137.07 33.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 23' ' ' ILE . 41.4 mt -79.06 112.28 16.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -89.49 136.5 32.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 32.0 m-20 -52.1 -21.35 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.27 14.59 60.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -107.63 142.32 37.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 p -99.91 150.4 22.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 26' ' ' VAL . 8.0 mt -62.58 -38.99 92.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -63.22 -37.2 86.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.069 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -14.6 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.726 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.8 m-85 -106.14 -9.39 16.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 56.32 56.39 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.726 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -78.26 143.33 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.0 155.82 16.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 126.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 12.7 mp0 55.01 53.51 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.9 m -75.59 170.35 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.938 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -100.37 110.17 22.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.07 146.27 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.98 103.96 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.579 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.3 tp -97.98 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.51 0.195 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -88.87 149.44 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.567 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -147.12 162.82 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -118.87 104.47 10.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 69' ' ' LEU . 2.4 p -93.69 148.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.8 152.61 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -100.11 166.57 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 70' ' ' VAL . 14.3 tp -64.09 -12.88 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 7.6 t -100.85 7.85 43.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.08 23.83 75.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 35.1 tttp -84.07 152.14 24.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.876 ' C ' HD12 ' A' ' 13' ' ' ILE . 19.3 m -103.36 116.55 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.876 HD12 ' C ' ' A' ' 12' ' ' THR . 1.8 mp -125.04 117.34 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.4 m -97.92 143.7 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.1 130.91 29.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -100.92 114.96 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.202 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG11 HG13 ' A' ' 26' ' ' VAL . 11.2 m -135.7 -178.21 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -106.07 159.22 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.95 21.35 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -89.12 -25.27 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.93 145.55 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 p -85.35 169.15 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.381 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.2 mm -59.48 -36.84 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.65 -36.53 84.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -44.44 76.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' THR . 13.0 t -63.87 -42.99 97.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -63.66 -44.4 93.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.88 78.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.59 -45.47 86.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.33 -31.05 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 23.4 tt0 -65.06 -57.9 7.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 -30.09 68.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -73.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.74 -7.25 5.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.2 mt -78.96 137.32 57.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.96 157.27 43.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.35 12.96 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.34 -33.08 73.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.18 7.41 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.82 133.23 36.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -133.98 97.45 3.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.711 ' HB2' HD12 ' A' ' 50' ' ' LEU . 8.5 mt -97.53 124.27 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -105.03 141.42 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -154.43 126.56 7.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 15.85 6.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.8 -7.45 81.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.578 1.174 . . . . 0.0 110.997 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -106.93 149.17 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.364 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -79.04 139.73 38.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 45' ' ' PHE . 62.4 mt -69.36 116.86 10.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.29 126.74 35.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -47.87 -50.29 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.3 -17.8 33.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -97.19 134.23 40.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.743 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 22' ' ' THR . 16.8 p -96.86 165.18 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 26' ' ' VAL . 4.2 mt -61.89 -40.25 94.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -63.06 -43.98 97.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -15.89 59.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 6.1 m-85 -97.89 -6.87 31.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 55.19 52.45 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 83.6 mt -78.99 146.89 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -97.29 151.09 20.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.8 133.46 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 50.87 13.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 61' ' ' ILE . 7.7 p -74.8 158.34 33.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -96.81 107.29 19.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -109.17 149.48 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.2 110.71 22.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.691 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 43' ' ' LEU . 6.6 tp -95.03 96.62 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 HD13 ' A' ' 8' ' ' LEU . 98.1 t -114.06 158.38 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.55 -174.94 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.12 147.09 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -80.05 -72.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' CG ' ' HG ' ' A' ' 73' ' ' LEU . 38.3 mtt180 -86.2 -149.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.73 -94.79 0.31 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.5 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.438 0.161 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -85.34 151.28 24.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -142.35 158.93 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.218 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 4.9 m-85 -118.94 98.33 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.8 p -86.35 144.95 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.52 149.93 28.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 m -99.16 165.99 11.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 70' ' ' VAL . 14.3 tp -63.9 -13.06 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -100.55 9.47 42.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.36 22.31 78.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.07 147.65 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.8 m -103.56 116.38 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.675 ' O ' HG12 ' A' ' 5' ' ' VAL . 1.8 mm -125.24 114.86 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.513 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -96.61 142.22 28.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.371 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.857 HD23 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -138.12 133.84 33.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 116.19 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.857 HG13 HD23 ' A' ' 15' ' ' LEU . 33.9 m -138.18 178.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 3.6 mt-10 -107.0 157.65 34.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.9 20.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -89.05 -16.38 31.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.56 146.49 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 26' ' ' VAL . 13.1 p -85.4 167.76 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -62.85 -29.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.35 -41.08 77.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.36 -44.3 88.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 22' ' ' THR . 29.8 t -63.72 -45.26 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 43' ' ' LEU . 6.1 mtpt -63.52 -35.37 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.82 93.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HB3' HD21 ' A' ' 15' ' ' LEU . 3.0 mttp -63.98 -45.22 90.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 27' ' ' LYS . 11.7 mt -64.73 -33.19 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.9 tt0 -65.2 -54.99 21.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -29.08 69.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -70.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -62.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.3 -6.8 6.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 37' ' ' PRO . 81.4 mt -80.03 140.76 53.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.01 158.77 41.99 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.496 1.787 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.14 -24.64 12.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -35.36 77.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.42 2.07 54.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.559 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.05 133.29 36.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.96 97.34 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -97.83 123.95 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.395 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.03 139.55 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -151.12 123.84 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 17.58 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.3 -6.55 82.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -104.05 138.94 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.253 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -82.05 135.65 35.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD21 ' HB2' ' A' ' 45' ' ' PHE . 11.2 mt -71.67 110.28 6.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -88.73 117.72 27.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.41 104.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.58 -14.24 2.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -96.82 145.9 25.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.257 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 p -90.45 151.89 21.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 26' ' ' VAL . 33.4 mt -60.85 -40.79 94.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.21 -34.97 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -20.2 65.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 42.6 m-85 -98.54 -2.43 38.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 54.97 50.73 14.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 45' ' ' PHE . 96.9 mt -78.81 144.49 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.52 152.63 22.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.41 146.23 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 27.3 tt0 54.1 44.75 28.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 p -75.17 151.79 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -102.91 107.85 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 50' ' ' LEU . 6.4 mp -109.25 150.56 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -107.12 109.7 21.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -94.88 103.44 15.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -113.69 152.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.97 170.67 11.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.13 173.16 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -60.73 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 -153.5 0.29 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.44 -177.69 14.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.8 ptp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.489 0.185 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -90.4 150.4 21.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.559 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -141.37 159.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.98 101.18 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.5 p -90.64 144.22 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.96 153.96 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 11' ' ' LYS . 30.9 p -99.92 164.2 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -6.49 13.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.5 m -98.68 -24.93 14.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.84 2.94 25.25 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 7' ' ' THR . 7.8 tptm -73.5 147.26 44.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 0.7 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 52.6 m -103.07 124.6 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.505 ' O ' HG12 ' A' ' 5' ' ' VAL . 78.3 mt -125.15 115.11 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.83 139.71 31.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.15 134.14 34.21 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -99.06 116.49 31.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 1' ' ' MET . 27.2 m -135.6 176.38 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -100.81 153.67 37.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.85 21.3 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.1 p -89.32 -22.64 22.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.74 148.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.6 p -85.53 170.37 12.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 50' ' ' LEU . 6.8 mm -64.31 -27.79 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.31 -45.43 76.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -65.17 -41.58 94.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.644 HG21 HD11 ' A' ' 56' ' ' LEU . 60.4 t -63.67 -46.72 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.8 mtpt -62.88 -39.8 95.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.247 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.05 90.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -44.29 92.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 27' ' ' LYS . 13.9 mt -64.25 -34.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.1 tt0 -65.19 -55.97 15.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -26.63 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -73.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.4 -59.74 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 132.07 -5.73 5.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.4 mt -79.0 142.61 60.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.98 159.49 41.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.96 -29.76 7.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 66.3 mm-40 -90.83 2.08 56.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 1.1 tt0 -93.38 135.41 34.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.61 95.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -97.96 125.8 43.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.33 145.79 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.5 t80 -151.68 123.34 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 20.27 8.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.19 -13.18 67.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.83 132.78 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -78.92 140.34 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 7.1 mt -77.6 116.87 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.95 118.62 28.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.01 104.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.96 -15.82 1.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.1 mmt180 -96.51 145.07 26.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -88.87 144.17 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 26' ' ' VAL . 8.5 mt -53.29 -40.96 65.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -62.31 -33.77 75.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -20.96 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 50.6 m-85 -97.97 -5.87 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.184 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 t30 58.73 55.08 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 45' ' ' PHE . 4.4 mt -79.06 147.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.57 154.73 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 137.43 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 54.84 51.9 12.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 p -75.06 156.0 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -101.68 104.74 15.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.6 mp -108.9 146.37 33.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 116.36 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.56 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 HD21 ' A' ' 43' ' ' LEU . 7.2 tp -96.19 120.09 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -114.1 137.3 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -87.01 -171.63 3.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -87.91 153.71 21.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -66.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -149.98 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.65 -90.38 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.5 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -87.93 149.58 23.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.547 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.7 pp -140.23 157.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.706 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.83 102.3 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.7 p -88.5 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -107.42 150.25 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.424 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 1.4 m -103.86 160.12 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.95 -20.63 16.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 6.4 t -99.6 24.91 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.41 27.95 58.76 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -83.23 149.11 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.259 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -103.31 116.52 32.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 5' ' ' VAL . 23.5 mt -125.12 113.01 33.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.6 m -95.87 140.59 30.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.28 133.98 33.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.31 115.27 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG11 HG13 ' A' ' 26' ' ' VAL . 32.9 m -135.67 -178.32 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.16 153.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.42 21.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -89.09 -25.33 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -66.08 148.78 51.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -85.49 170.18 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 27' ' ' LYS . 20.1 mm -62.79 -30.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.23 -40.62 86.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -66.23 -46.9 75.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 56' ' ' LEU . 58.8 t -63.86 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 23' ' ' ILE . 10.0 mttt -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.27 95.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -64.08 -45.76 87.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.48 -35.2 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 35' ' ' GLY . 48.2 tt0 -65.11 -53.08 50.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -29.23 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -74.84 -73.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.86 -60.91 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.45 -5.23 6.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.4 mp -81.42 142.55 50.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 164.19 33.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -31.73 6.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.07 -33.24 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 78.1 mm-40 -91.37 -7.03 52.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.528 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.6 mt-30 -93.04 140.36 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.82 104.36 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -97.71 117.32 31.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -103.76 136.23 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -151.09 127.97 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.28 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.94 51.59 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.576 1.173 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -101.0 136.39 40.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -84.0 142.51 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 45' ' ' PHE . 5.6 mt -76.4 117.34 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.91 116.78 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -47.17 104.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.96 -14.22 2.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -96.64 156.73 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -96.27 144.31 26.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -56.29 -36.91 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -63.14 -37.29 86.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.03 -19.53 65.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -97.81 -1.47 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 54.63 56.02 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 45' ' ' PHE . 9.2 mt -82.71 136.0 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -95.86 156.28 16.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 130.64 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 54.87 55.18 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -74.89 169.09 18.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.12 102.69 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.3 mp -109.09 145.34 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 121.22 44.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -102.23 97.71 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 42' ' ' ARG . 5.5 p -114.17 168.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.45 ' H ' HG22 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -80.9 152.97 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.64 171.46 9.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 110.22 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.9 -66.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -90.15 -150.69 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.19 -103.46 0.9 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -91.24 159.28 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.3 pp -138.85 150.77 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CD1' HG23 ' A' ' 14' ' ' THR . 11.9 m-85 -118.94 103.11 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 67' ' ' LEU . 2.5 p -98.03 151.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.93 143.75 34.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -99.8 168.46 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -53.62 -27.68 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 11' ' ' LYS . 2.9 t -99.73 44.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.4 31.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HB2' HG23 ' A' ' 9' ' ' THR . 8.5 tttt -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -101.56 113.76 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mt -120.33 112.87 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.667 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.9 m -95.82 139.92 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -138.19 133.97 33.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -94.7 117.14 29.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG12 ' HD3' ' A' ' 29' ' ' LYS . 23.0 m -140.25 -179.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.6 mm-40 -107.14 154.2 40.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.19 21.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.624 1.855 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.1 -22.55 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.22 150.14 48.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 p -85.22 171.51 11.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.087 . . . . 0.0 110.45 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG22 ' HD2' ' A' ' 27' ' ' LYS . 22.2 mm -63.84 -34.04 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -37.88 84.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -66.27 -47.37 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.946 HG21 HD11 ' A' ' 56' ' ' LEU . 60.0 t -63.79 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HD2' HG22 ' A' ' 23' ' ' ILE . 14.2 mttp -65.16 -40.75 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.04 95.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -63.87 -43.69 95.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.66 -34.0 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 41.9 tt0 -65.14 -59.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.95 65.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.9 tptt -75.41 -74.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.22 -60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.71 -4.13 5.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.644 HG23 ' HD2' ' A' ' 37' ' ' PRO . 18.4 mt -78.87 140.25 58.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.96 155.53 43.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.99 -22.13 15.15 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.04 -34.58 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -101.06 7.95 43.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.567 ' HG2' HD21 ' A' ' 43' ' ' LEU . 4.1 tt0 -93.44 131.55 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.96 98.5 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.567 HD21 ' HG2' ' A' ' 41' ' ' GLN . 4.9 mt -97.52 122.03 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -105.22 141.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 4.8 t80 -156.17 124.27 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.49 22.51 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.56 -2.68 86.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -107.94 136.8 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 0.715 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.89 137.41 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD11 HD23 ' A' ' 67' ' ' LEU . 6.2 mt -71.4 114.81 9.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 112.25 22.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.96 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.63 -15.12 2.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.9 mtt-85 -96.9 158.33 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -93.64 145.66 24.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.946 HD11 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -53.51 -40.31 65.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.0 t -62.33 -31.36 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -17.79 63.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -105.14 3.58 30.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t30 55.14 54.8 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 45' ' ' PHE . 22.0 mt -84.79 131.77 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.08 159.78 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 129.91 22.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 1.3 mp0 54.82 54.9 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.407 ' OG ' HG23 ' A' ' 61' ' ' ILE . 5.9 m -73.87 167.66 21.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -106.19 100.67 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.2 mp -108.38 150.5 27.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.02 114.24 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.17 100.88 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.6 t -114.09 154.6 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.93 177.3 7.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.085 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.01 164.49 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -65.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.11 -150.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.0 -106.58 1.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.69 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 7.9 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.512 0.196 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -89.9 150.28 22.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -143.91 163.77 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.694 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.62 105.02 11.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.613 1.195 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.786 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.4 p -92.98 148.11 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.35 145.84 32.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -99.68 160.46 14.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.97 -9.41 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 ' CG2' ' HE3' ' A' ' 11' ' ' LYS . 97.6 m -98.95 9.46 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.14 60.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HE3' ' CG2' ' A' ' 9' ' ' THR . 17.8 mtmt -73.33 152.6 40.86 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -103.71 126.6 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.786 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.7 mm -125.19 114.83 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.694 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.1 m -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.08 129.42 27.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -98.48 107.3 19.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 15' ' ' LEU . 31.7 m -130.11 -175.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.69 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -107.16 158.82 32.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.33 21.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.08 -23.78 22.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.93 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 145.57 56.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 26' ' ' VAL . 49.0 p -85.17 170.91 12.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.459 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 50' ' ' LEU . 32.6 mm -58.0 -51.38 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.59 -33.78 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.58 -44.34 78.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 22' ' ' THR . 3.4 t -63.65 -46.86 93.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 43' ' ' LEU . 22.9 mtmt -64.07 -35.18 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.06 99.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -64.41 -44.36 91.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.6 mt -63.93 -35.37 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 44.5 tt0 -65.36 -54.25 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.36 -30.58 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 15' ' ' LEU . 4.5 mttt -79.73 -71.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.54 -63.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.02 -1.31 7.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.3 mt -81.89 138.87 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -18.98 18.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.16 -43.68 77.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -90.97 0.56 57.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.675 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -93.27 133.54 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -134.2 98.22 4.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.675 HD21 ' CG ' ' A' ' 41' ' ' GLN . 2.0 mt -98.09 119.89 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.79 148.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.652 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -151.16 127.43 10.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.81 21.67 3.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.16 -9.58 76.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 132.85 44.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.734 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -78.98 134.06 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 45' ' ' PHE . 14.6 mt -71.97 113.25 8.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.83 115.33 26.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.05 105.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.15 -12.42 2.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.443 1.089 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -96.51 153.17 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -94.02 147.1 23.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 26' ' ' VAL . 24.1 mt -59.52 -37.02 77.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.3 t -63.08 -38.64 92.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -17.78 63.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -100.58 1.16 40.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.575 1.172 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 54.96 49.26 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 45.6 mt -78.84 128.24 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -94.69 156.03 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.07 132.23 23.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 56.84 55.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -75.06 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -106.76 98.34 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 5.4 mp -106.37 145.57 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.01 115.78 30.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.1 tp -98.57 108.64 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.22 152.47 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -178.91 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 171.82 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.08 -65.54 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -156.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.39 113.76 2.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -87.31 153.42 21.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -141.94 154.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.8 m-85 -118.88 97.28 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.38 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -106.96 151.12 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 13' ' ' ILE . 3.2 m -103.5 168.93 8.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 70' ' ' VAL . 8.3 tp -63.68 -13.16 40.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 9' ' ' THR . 82.9 m -100.58 24.29 9.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.85 18.14 10.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.051 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -81.2 152.26 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -103.11 122.29 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 7' ' ' THR . 71.3 mt -124.85 112.5 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.674 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.4 m -98.51 139.01 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.132 . . . . 0.0 110.46 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.3 135.44 35.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -97.4 119.7 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 HD23 ' A' ' 15' ' ' LEU . 20.5 m -139.63 -179.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.22 158.87 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.57 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -89.29 -25.05 21.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.15 142.88 57.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.51 173.41 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 50' ' ' LEU . 11.4 mm -57.77 -62.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -43.75 -35.97 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.316 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -65.99 -45.77 80.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 22' ' ' THR . 21.9 t -63.42 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 30' ' ' ILE . 36.5 mtmt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.75 88.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.774 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.84 -39.29 93.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -62.8 -37.18 78.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.3 tt0 -65.22 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.42 -28.76 13.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -75.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -57.81 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.26 32.58 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.4 mt -89.81 142.56 29.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 144.38 30.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.05 -30.4 7.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -28.6 68.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.23 4.06 41.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.596 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -93.04 129.75 38.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.86 99.89 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.596 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.4 mt -97.88 116.04 29.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -102.63 140.84 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 10.1 t80 -153.91 124.32 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.19 22.23 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.78 -16.08 48.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.04 133.42 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.753 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -80.09 136.97 36.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 59' ' ' TYR . 4.3 mt -79.28 110.03 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -89.42 134.38 34.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -48.11 110.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.77 -18.03 2.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -96.69 148.27 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.14 151.78 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD11 HG21 ' A' ' 26' ' ' VAL . 9.6 mt -62.03 -41.3 97.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -62.32 -36.52 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -20.72 60.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 50' ' ' LEU . 33.1 m-85 -101.02 -5.3 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 55.14 58.71 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 3.4 mt -78.94 143.39 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -95.62 156.67 16.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 131.67 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 55.8 7.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.417 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.0 p -75.01 158.43 33.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.057 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.04 103.63 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.5 mp -109.1 149.92 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.11 110.53 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HB2' HG21 ' A' ' 5' ' ' VAL . 6.1 tp -99.23 96.5 7.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -114.0 164.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.9 mp -83.63 177.69 8.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 168.05 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.73 -59.9 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.209 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -149.94 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.04 -140.87 4.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' VAL . 21.5 ptp . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.476 0.179 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -90.13 150.29 22.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.654 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -145.77 161.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.9 m-85 -119.06 104.36 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.183 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.1 p -92.06 141.95 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.738 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.97 151.45 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 13' ' ' ILE . 50.1 p -100.49 163.78 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD13 HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.25 -6.11 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -98.58 -20.87 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.87 1.99 34.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -73.35 141.39 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -101.9 123.41 45.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.423 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.0 mt -125.23 121.06 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.5 m -95.7 141.39 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -134.09 130.44 37.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' N ' HD13 ' A' ' 15' ' ' LEU . 2.4 pt-20 -99.76 106.96 18.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.894 HG13 HD12 ' A' ' 15' ' ' LEU . 13.5 m -130.15 178.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.09 160.35 26.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.49 20.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -89.24 -24.02 22.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.23 143.8 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -85.42 160.79 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' ILE . 22.9 mm -57.79 -26.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -44.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' ND2' ' NZ ' ' A' ' 29' ' ' LYS . 59.4 t30 -66.0 -41.69 90.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 56' ' ' LEU . 58.7 t -63.64 -47.46 91.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.85 86.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.07 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HE3' HG12 ' A' ' 17' ' ' VAL . 4.3 mtmm -63.78 -47.86 79.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.02 -34.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.0 tt0 -65.35 -52.64 52.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -29.73 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -68.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -63.48 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.42 -6.25 6.28 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 37' ' ' PRO . 16.8 mt -81.49 141.48 48.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.574 0.808 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.584 1.834 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.27 8.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' O ' ' CD ' ' A' ' 72' ' ' ARG . 1.1 m-20 -67.41 -32.04 72.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -17.7 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.2 mt-30 -85.95 135.07 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' C ' HD23 ' A' ' 43' ' ' LEU . 10.7 ttt180 -133.7 102.6 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 43' ' ' LEU . 5.8 mt -97.5 119.88 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -102.34 145.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.856 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -155.52 130.53 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 20.2 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -12.6 65.12 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.34 145.78 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -81.53 141.79 33.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 45' ' ' PHE . 15.1 mt -77.35 110.88 12.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ARG . 17.3 mt-10 -89.13 134.55 33.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -49.46 -45.33 46.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.44 -8.03 43.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mmt180 -103.33 139.0 39.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -99.61 160.3 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.087 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 26' ' ' VAL . 5.3 mt -62.19 -37.86 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -62.1 -41.44 98.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.62 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.37 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 13.4 m-85 -99.99 -10.45 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 56.77 61.04 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 1.2 mp -79.42 147.08 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -105.21 154.58 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.38 132.11 24.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 54.9 56.05 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 61' ' ' ILE . 3.1 m -75.23 168.87 19.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.738 HG23 ' HE2' ' A' ' 6' ' ' LYS . 4.3 m -107.55 99.58 9.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HB ' ' A' ' 3' ' ' ILE . 7.3 mp -100.51 143.75 30.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 111.01 23.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 2.8 tp -94.0 102.77 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.37 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 71' ' ' LEU . 73.9 t -114.29 161.35 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.593 HD23 HD13 ' A' ' 8' ' ' LEU . 1.1 pp -86.81 155.08 20.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -83.68 170.09 14.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.86 -67.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.25 -150.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.51 -153.28 7.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.536 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -92.39 149.53 21.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.573 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -138.98 160.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 5.4 m-85 -118.78 98.67 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -87.08 144.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -113.55 146.54 39.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -100.06 169.17 9.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.8 tp -63.82 -13.33 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 ' HB2' ' A' ' 11' ' ' LYS . 3.5 t -100.5 28.67 4.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.62 23.75 6.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' HB2' HG23 ' A' ' 9' ' ' THR . 9.3 tptt -83.15 146.15 28.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -103.15 117.78 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -125.1 117.06 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.563 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -99.39 140.5 33.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -138.13 136.81 37.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.7 tt0 -101.18 121.12 41.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.753 HG11 HG13 ' A' ' 26' ' ' VAL . 27.3 m -140.0 176.23 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.71 160.78 25.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.08 21.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 t -89.17 -24.09 22.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.053 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.59 143.03 56.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.8 p -85.58 169.08 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 50' ' ' LEU . 5.5 mm -64.66 -27.9 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -40.38 81.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.55 -44.41 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 HG11 ' A' ' 17' ' ' VAL . 40.5 t -65.98 -37.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 3.2 mttp -66.05 -48.44 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.375 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.47 74.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -64.62 -47.13 79.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.08 -34.32 67.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 43.5 tt0 -65.25 -55.25 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -31.71 66.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -74.94 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -62.09 -62.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.66 -2.51 6.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.2 mt -78.99 142.77 60.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 152.19 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.02 -28.38 9.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.5 -41.09 80.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 14.34 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 38' ' ' PRO . 11.9 mt-30 -93.6 137.12 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 94.05 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' CD2' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.79 121.48 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -107.23 136.71 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 0.0 109.316 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 6.1 t80 -151.52 121.02 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.21 13.46 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.12 -5.09 68.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -108.01 137.92 45.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -84.52 135.75 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 23' ' ' ILE . 7.2 mt -79.33 103.4 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.392 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 134.05 34.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.71 113.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.78 -23.38 2.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -96.95 136.03 38.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -90.92 156.1 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' A' ' 26' ' ' VAL . 1.7 mt -61.92 -28.19 69.35 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -63.09 -52.48 62.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.18 -14.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 12.5 m-85 -97.42 -14.9 20.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.84 64.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 mt -86.5 139.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.36 151.67 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -50.47 141.58 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 7.0 mt-10 54.61 47.3 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -75.32 150.83 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -100.3 104.17 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 4.0 mp -109.41 145.59 35.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -107.21 108.67 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.62 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.3 tp -101.28 98.67 9.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 9.3 p -114.11 173.86 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.618 ' H ' HG22 ' A' ' 70' ' ' VAL . 1.4 mt -85.08 -173.09 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -92.9 172.36 8.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.55 -73.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -27.78 21.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 72' ' ' ARG . . . 155.24 -78.03 0.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.569 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 23.7 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.504 0.193 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -91.13 149.57 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.917 HD13 HD13 ' A' ' 67' ' ' LEU . 2.5 pp -144.49 166.34 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.29 104.87 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -93.35 146.93 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 144.47 33.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.529 HG22 HD13 ' A' ' 8' ' ' LEU . 1.7 m -99.9 163.54 12.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.52 -21.74 10.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.638 ' N ' HD22 ' A' ' 8' ' ' LEU . 5.1 t -99.71 39.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.6 28.36 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' HG23 ' A' ' 9' ' ' THR . 4.9 ttpt -83.89 149.39 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -101.06 113.68 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 13' ' ' ILE . 22.2 mm -124.28 116.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 4' ' ' PHE . 43.1 m -96.58 148.46 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.05 130.2 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.9 pt-20 -99.04 104.85 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG13 HD12 ' A' ' 15' ' ' LEU . 33.8 m -130.48 -178.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -107.32 158.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -14.21 21.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -25.04 22.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.071 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.12 144.02 56.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.225 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.1 p -85.43 173.25 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 50' ' ' LEU . 22.0 mm -63.0 -33.23 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.57 -37.75 85.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.45 -43.23 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 56' ' ' LEU . 32.5 t -63.98 -47.14 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -58.39 -46.73 85.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.229 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.72 76.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.744 ' HD3' HG12 ' A' ' 17' ' ' VAL . 1.5 mttp -65.1 -45.79 83.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.73 -33.18 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' GLY . 64.1 tt0 -65.3 -63.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.51 -29.8 11.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -77.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -77.18 -59.52 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.78 30.07 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 37' ' ' PRO . 17.7 mm -89.56 141.66 28.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.578 0.811 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.95 145.59 31.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.781 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -29.78 7.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.96 -34.35 76.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.94 14.4 29.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.854 ' OE1' HD21 ' A' ' 43' ' ' LEU . 2.8 mm-40 -92.5 126.99 37.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -133.71 94.4 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.854 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.4 mt -97.21 119.21 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -100.82 139.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.6 t80 -151.66 122.41 7.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.85 25.62 12.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.28 -11.65 60.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 130.71 50.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.41 140.68 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 67' ' ' LEU . 7.1 mt -74.51 119.0 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.06 115.28 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.77 104.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.17 -13.89 2.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -96.63 150.47 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -91.22 143.7 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 26' ' ' VAL . 7.1 mt -55.3 -34.13 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -63.41 -42.63 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -63.38 -17.87 63.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.73 -1.2 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 54.37 49.09 19.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD13 HD22 ' A' ' 56' ' ' LEU . 8.8 mt -80.66 130.0 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.2 154.43 17.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 134.64 20.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.95 54.81 8.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -75.93 168.2 20.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -106.95 95.72 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 3' ' ' ILE . 3.7 mp -109.15 147.16 32.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.65 114.54 28.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.078 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -93.88 101.02 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 71' ' ' LEU . 72.1 t -114.25 162.33 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -87.12 146.9 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.96 171.69 9.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 110.243 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.45 -71.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -90.34 -150.32 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.94 -135.15 3.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' VAL . 11.9 ptp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.529 0.204 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -94.77 148.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -139.08 164.31 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.707 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.85 105.07 11.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.1 p -94.77 152.16 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.22 148.71 30.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.5 p -99.88 164.9 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 70' ' ' VAL . 1.6 mt -65.61 -8.8 22.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.2 m -99.36 5.86 46.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.32 0.67 78.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -73.69 149.45 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -103.01 124.93 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.1 mm -125.24 121.32 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' CD1' ' A' ' 4' ' ' PHE . 6.0 m -95.76 142.77 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.13 128.01 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -96.33 110.11 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.588 HG11 HG13 ' A' ' 26' ' ' VAL . 28.3 m -129.83 -178.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.56 160.51 26.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.05 20.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -89.29 -24.9 21.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.5 143.14 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.6 p -85.63 176.78 7.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 50' ' ' LEU . 13.8 mm -65.67 -39.51 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.71 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -47.32 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG21 HD11 ' A' ' 56' ' ' LEU . 47.6 t -63.84 -40.32 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' HG ' ' A' ' 43' ' ' LEU . 73.2 mttt -63.85 -43.48 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.35 -36.1 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' GLY . 59.4 tt0 -65.65 -55.75 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -24.21 55.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -68.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -91.85 -58.03 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 110.344 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.49 33.89 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.9 mt -90.32 142.59 28.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 145.5 31.23 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.0 -28.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.54 -30.37 69.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 7.1 mm100 -98.24 8.06 45.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 17.6 mt-30 -93.31 128.81 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.59 98.55 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -97.63 115.35 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 mt -103.37 145.58 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.2 t80 -151.88 108.8 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.93 47.83 21.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.43 42.64 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 117.51 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.64 128.69 34.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.9 mt -79.03 112.09 15.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.99 121.55 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -47.42 104.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.64 -15.02 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -96.62 153.38 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 0.72 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 HG22 ' A' ' 22' ' ' THR . 66.6 p -99.11 147.07 25.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 26' ' ' VAL . 7.4 mt -56.66 -33.6 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -63.05 -43.11 99.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -18.53 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.624 1.203 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HB2' HD12 ' A' ' 61' ' ' ILE . 10.6 m-85 -97.95 -15.93 19.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.85 66.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -87.19 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.9 151.08 19.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.14 128.75 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 54.87 53.59 10.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -74.72 167.73 21.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -106.27 102.62 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.1 mp -109.06 149.15 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.075 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 113.13 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 tp -98.08 95.87 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 71' ' ' LEU . 5.8 p -114.05 176.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.66 ' H ' HG22 ' A' ' 70' ' ' VAL . 93.2 mt -82.73 145.12 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -92.83 169.78 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.58 -70.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -90.09 -150.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 0.0 110.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.73 -100.15 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.465 0.174 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.418 ' CG ' HG22 ' A' ' 14' ' ' THR . 15.1 tt0 -91.73 152.2 20.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.4 pp -138.78 151.67 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 64' ' ' GLU . 6.5 m-85 -119.15 100.04 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -91.11 147.33 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -106.61 144.61 33.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -99.65 166.58 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 110.408 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -54.15 -25.49 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 9' ' ' THR . 3.5 m -99.48 43.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 37.91 30.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' THR . 3.4 tttm -82.72 149.48 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 m -103.06 110.49 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 5' ' ' VAL . 62.3 mt -119.92 109.81 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 HG22 ' CG ' ' A' ' 2' ' ' GLN . 7.5 m -96.94 142.48 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.33 139.72 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.75 110.62 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' HD23 ' A' ' 15' ' ' LEU . 25.0 m -132.15 177.6 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.2 158.84 32.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -14.21 21.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -25.08 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.13 144.42 57.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.31 166.26 16.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 23' ' ' ILE . 14.2 mm -58.06 -40.07 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.27 -36.82 78.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.75 -43.02 80.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' THR . 18.6 t -63.75 -45.13 98.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 30' ' ' ILE . 21.4 mttt -61.89 -46.99 86.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.57 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.48 -42.04 88.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 27' ' ' LYS . 9.1 mt -62.87 -35.22 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.7 tt0 -65.45 -60.52 2.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.12 -29.78 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -72.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -88.46 -58.53 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.62 35.72 0.68 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.731 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.4 mt -89.51 142.61 29.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.6 Cg_endo -74.88 142.66 28.52 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.45 1.763 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.98 -24.89 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -68.31 -37.97 81.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -96.5 14.52 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.379 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.616 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.0 mm-40 -93.16 123.81 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.75 97.47 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.652 ' HB2' HD12 ' A' ' 50' ' ' LEU . 5.1 mt -97.67 119.62 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.3 148.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 2.5 t80 -153.02 116.9 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.89 26.22 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.34 -5.3 84.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.97 123.16 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -80.29 132.19 35.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 43' ' ' LEU . 7.1 mt -79.21 114.77 18.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -88.92 121.72 31.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -47.35 104.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.55 -16.28 1.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -96.59 151.35 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.608 0.828 . . . . 0.0 110.356 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 p -94.57 144.58 25.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 61' ' ' ILE . 10.8 mt -53.51 -37.15 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -63.19 -39.78 95.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.54 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -98.29 -9.03 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 t30 59.28 63.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.7 mt -88.97 133.16 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -95.33 156.7 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.47 139.29 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 9.8 mt-10 54.81 50.93 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -74.9 148.31 40.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -97.42 101.58 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.472 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mp -108.83 146.54 33.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -107.12 116.6 32.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.662 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.54 97.72 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.19 171.13 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.97 157.53 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 174.43 7.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.3 -71.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -90.35 -153.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.03 80.77 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.44 0.162 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -87.09 148.77 25.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.431 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.0 pp -142.17 161.01 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.58 101.59 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.2 p -90.12 146.46 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.86 147.91 29.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.594 ' CG2' HD12 ' A' ' 13' ' ' ILE . 28.7 p -100.17 159.33 15.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 HD13 HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.26 -6.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.8 m -98.63 -3.08 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 -4.06 83.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 7' ' ' THR . 0.9 OUTLIER -73.24 149.08 43.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -103.7 125.83 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.811 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.7 mt -125.33 116.8 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.474 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.1 m -95.79 143.52 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -138.26 134.42 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.96 120.08 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG11 HG13 ' A' ' 26' ' ' VAL . 25.9 m -140.19 -176.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.38 158.8 32.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.85 20.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -23.38 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.75 148.11 51.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 p -85.7 168.24 14.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.53 HD12 HD13 ' A' ' 50' ' ' LEU . 21.7 mm -61.61 -35.36 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.86 -36.71 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.22 -43.34 86.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.949 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -63.99 -45.19 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.85 98.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.17 90.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -63.8 -41.66 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CG1' ' HG ' ' A' ' 15' ' ' LEU . 49.1 mt -64.09 -33.7 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLY . 42.5 tt0 -65.19 -54.97 21.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -29.32 68.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -74.64 -74.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -60.7 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 130.55 -4.54 5.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.744 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.3 mt -78.63 142.63 61.89 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.744 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 152.52 41.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.026 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.02 -19.03 18.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.19 -42.67 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -91.75 4.34 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 69' ' ' LEU . 2.7 tt0 -93.17 129.28 39.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.528 ' NH2' HG11 ' A' ' 70' ' ' VAL . 40.1 ttp180 -133.8 103.9 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.749 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.6 mt -97.71 126.75 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -108.51 136.54 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CB ' HD21 ' A' ' 50' ' ' LEU . 8.3 t80 -153.54 129.46 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.12 20.37 12.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 -6.57 72.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.113 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -108.59 147.5 31.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 142.49 35.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 43' ' ' LEU . 48.4 mt -72.12 114.87 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' ARG . 32.0 mt-10 -89.39 125.01 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -47.81 -51.25 23.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.35 -18.31 35.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLU . 26.9 mmt180 -96.71 143.69 27.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -96.62 164.03 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.949 HD11 HG21 ' A' ' 26' ' ' VAL . 15.6 mt -61.63 -41.84 98.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 t -62.02 -33.79 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -99.61 -4.55 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 54.68 56.9 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.549 HD13 HD22 ' A' ' 56' ' ' LEU . 6.8 mt -78.79 140.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.85 149.17 21.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.08 134.4 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.0 45.28 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -71.72 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.04 107.05 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.583 HD23 HD11 ' A' ' 50' ' ' LEU . 7.4 mp -109.23 145.91 35.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.28 115.1 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.59 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 7.7 tp -97.26 107.03 19.46 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.614 1.196 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG11 ' NH2' ' A' ' 42' ' ' ARG . 45.2 t -114.19 146.75 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -86.65 157.64 19.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.87 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.47 -58.63 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.4 mtt-85 -90.07 -150.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 110.353 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.28 -145.1 4.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.666 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 21.7 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.556 0.217 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -93.07 148.84 21.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -143.28 167.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.696 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.79 99.82 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -84.28 144.3 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.835 ' HE2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -106.91 145.66 31.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 HG21 ' CD1' ' A' ' 13' ' ' ILE . 3.0 p -103.2 161.79 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.79 -5.62 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 t -98.37 2.09 47.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 110.337 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.69 -3.52 74.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 7' ' ' THR . 10.2 tttt -73.08 148.43 44.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -103.27 127.87 50.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 7' ' ' THR . 1.2 mp -125.39 119.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.696 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.9 m -96.42 142.73 28.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.763 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -138.04 128.81 26.83 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 107.96 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.763 ' CG1' HD12 ' A' ' 15' ' ' LEU . 21.0 m -132.24 -176.85 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.666 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.35 156.2 38.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -13.61 21.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -25.44 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.02 146.18 55.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 26' ' ' VAL . 31.7 p -85.8 169.67 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.487 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 23' ' ' ILE . 10.9 mm -57.57 -60.35 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -44.68 -31.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.22 -43.99 60.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 22' ' ' THR . 11.9 t -63.72 -43.35 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -63.85 -43.81 95.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.6 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 17' ' ' VAL . 13.8 tttt -65.0 -41.95 94.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.54 -36.2 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.6 tt0 -65.48 -58.59 5.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -26.88 33.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -74.58 -71.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -89.72 -58.13 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.36 35.93 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.7 mt -89.88 142.53 29.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 142.3 27.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.1 Cg_endo -75.02 -28.81 8.82 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.591 1.837 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -31.03 71.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.1 tp60 -100.72 12.32 37.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.678 ' OE1' HD13 ' A' ' 69' ' ' LEU . 1.8 mm-40 -92.83 127.95 38.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 96.68 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -97.67 117.75 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -107.36 142.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE2' HG12 ' A' ' 61' ' ' ILE . 3.2 t80 -152.45 123.52 7.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.88 23.51 9.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.96 -13.09 64.03 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.96 128.54 46.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.805 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -84.67 131.65 34.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.24 107.05 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.1 137.74 32.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 106.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.2 -15.45 2.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 4.0 mmt180 -96.56 150.43 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.216 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -98.95 143.01 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 18' ' ' GLU . 14.0 mt -54.21 -39.99 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 t -63.43 -34.72 78.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -22.35 63.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 56.6 m-85 -100.71 -3.28 30.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 54.54 57.58 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG21 HG21 ' A' ' 3' ' ' ILE . 5.8 mt -79.04 140.38 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -95.16 154.08 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 129.88 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 55.16 51.16 13.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -74.1 169.35 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.835 HG23 ' HE2' ' A' ' 6' ' ' LYS . 1.8 m -104.53 104.18 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.4 mp -108.62 149.84 28.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 111.96 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.574 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 41' ' ' GLN . 3.8 tp -99.15 95.32 7.02 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 71' ' ' LEU . 86.1 t -114.1 166.83 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 70' ' ' VAL . 2.6 mm? -86.91 -172.13 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -84.78 157.15 21.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -76.95 -67.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -149.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.367 1.042 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.8 31.44 2.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.079 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 17.5 ptp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.462 0.172 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.3 tt0 -88.13 149.9 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.562 ' C ' HD12 ' A' ' 3' ' ' ILE . 1.3 pp -142.45 162.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.403 1.064 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.1 m-85 -118.37 101.06 7.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -90.42 146.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -106.55 148.9 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD12 ' A' ' 13' ' ' ILE . 65.5 p -103.86 160.27 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 70' ' ' VAL . 10.6 tp -66.43 -5.76 12.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.6 m -98.64 3.72 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 -7.44 61.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -72.54 148.67 44.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 m -103.28 128.92 50.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 7' ' ' THR . 92.7 mt -125.16 119.79 56.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.685 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.6 m -96.28 144.09 26.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.32 126.12 22.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 48.7 mt-10 -94.32 116.02 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.783 HG11 HG13 ' A' ' 26' ' ' VAL . 17.3 m -137.8 -179.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.6 mm-40 -107.13 161.13 23.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.363 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -13.44 21.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 p -89.1 -25.65 21.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.62 143.17 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 26' ' ' VAL . 67.1 p -85.77 171.05 11.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.483 HG22 ' CD ' ' A' ' 27' ' ' LYS . 33.3 mm -58.42 -42.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.22 -37.37 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -44.87 88.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.783 HG13 HG11 ' A' ' 17' ' ' VAL . 4.0 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -62.92 -41.39 99.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.4 90.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HB3' HD11 ' A' ' 15' ' ' LEU . 1.9 mttp -63.85 -43.62 95.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.8 mt -63.22 -32.98 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.4 tt0 -65.4 -67.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -25.02 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -78.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.19 -54.45 5.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.1 26.53 1.85 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.4 mt -89.51 141.64 28.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -75.02 149.11 36.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.2 Cg_endo -74.97 -24.82 12.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.382 1.727 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -36.71 80.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -96.22 12.44 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.59 ' OE1' HD13 ' A' ' 69' ' ' LEU . 4.7 mm-40 -92.97 125.81 37.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -133.83 97.31 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.39 119.43 35.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 42' ' ' ARG . 2.4 mp -107.99 147.89 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -152.76 105.93 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 47.29 22.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 8.74 51.16 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -108.03 114.05 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.74 128.09 33.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 HD23 ' A' ' 67' ' ' LEU . 6.9 mt -77.58 112.43 14.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE2' ' NH2' ' A' ' 54' ' ' ARG . 1.8 mp0 -86.13 116.53 24.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -47.39 104.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.79 -14.25 2.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 8.7 mtt180 -96.86 158.5 15.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 HG22 HG22 ' A' ' 22' ' ' THR . 74.4 p -99.0 147.17 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 18' ' ' GLU . 9.4 mt -59.12 -33.02 70.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -62.51 -46.6 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -62.87 -16.43 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 10.7 m-85 -98.07 -17.81 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.57 66.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 45' ' ' PHE . 1.1 mp -88.8 142.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -94.74 154.08 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.33 124.69 10.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.477 1.11 . . . . 0.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 55.26 51.01 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -66.73 166.87 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -102.52 100.73 10.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 7.0 mp -109.26 149.23 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.86 112.73 25.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.641 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD13 ' OE1' ' A' ' 41' ' ' GLN . 1.8 tp -95.1 90.45 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.734 HG23 HD13 ' A' ' 8' ' ' LEU . 7.1 p -114.05 176.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.658 ' H ' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -87.0 150.55 23.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -92.93 167.42 11.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -65.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -90.31 -151.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.49 101.46 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' VAL . 13.3 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -88.56 148.99 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -139.79 159.88 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.3 m-85 -118.96 103.33 9.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 69' ' ' LEU . 1.4 p -90.22 141.35 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.69 147.85 29.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 ' HB ' HG22 ' A' ' 9' ' ' THR . 5.3 m -99.79 169.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.0 HD13 HG13 ' A' ' 70' ' ' VAL . 12.8 tp -64.18 -12.44 40.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.404 HG22 ' HB ' ' A' ' 7' ' ' THR . 14.6 t -100.61 12.87 36.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.07 16.98 69.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -76.58 147.88 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.0 m -103.11 119.87 39.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.15 114.03 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.687 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.0 m -96.01 137.39 35.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 29' ' ' LYS . 11.1 tp -138.6 133.66 32.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.56 117.3 29.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 26' ' ' VAL . 10.6 m -137.11 179.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 mt-10 -107.57 159.55 29.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -14.96 21.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.456 1.766 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 -24.66 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.9 143.68 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -85.86 167.44 15.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 50' ' ' LEU . 18.1 mm -59.78 -33.66 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.42 -34.59 78.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -69.56 -48.14 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 56' ' ' LEU . 36.5 t -63.83 -39.02 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 30' ' ' ILE . 3.9 mtmp? -65.95 -39.67 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.35 93.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB3' HD21 ' A' ' 15' ' ' LEU . 16.0 mtpp -64.15 -45.01 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 27' ' ' LYS . 19.2 mt -63.08 -33.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 tt0 -65.74 -62.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.42 -32.26 17.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -77.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -62.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 120.45 14.98 5.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.088 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.417 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -88.85 144.38 32.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.06 151.59 39.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.0 -26.88 10.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.62 -38.49 80.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -90.77 12.49 19.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.3 mt-30 -93.59 135.57 34.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.89 90.2 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.575 ' CD2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -97.27 118.59 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.0 mt -105.62 140.46 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CB ' HD21 ' A' ' 50' ' ' LEU . 6.1 t80 -152.92 123.1 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.55 19.28 9.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.55 -17.67 56.99 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -99.8 130.13 45.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.59 137.68 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 45' ' ' PHE . 1.4 mt -79.3 104.72 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.18 135.79 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 28.8 t0 -48.03 111.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.57 -15.78 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 59' ' ' TYR . 12.2 mmt180 -96.9 146.78 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -99.57 144.59 28.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD11 HG21 ' A' ' 26' ' ' VAL . 9.8 mt -54.42 -39.08 66.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -63.12 -38.71 92.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.068 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -20.36 63.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.504 ' OH ' ' CB ' ' A' ' 54' ' ' ARG . 14.5 m-85 -99.61 -7.17 26.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 54.65 57.39 5.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 45' ' ' PHE . 7.1 mt -78.99 144.32 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.62 151.85 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -50.18 131.53 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 54.98 53.69 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.9 m -75.46 168.15 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -107.09 102.08 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 45' ' ' PHE . 5.2 mp -105.99 146.06 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 43' ' ' LEU . 6.0 tp -98.07 98.97 10.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.0 HG13 HD13 ' A' ' 8' ' ' LEU . 61.0 t -114.12 164.37 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.9 mm? -86.65 179.05 6.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -92.9 162.54 14.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.226 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.06 -47.19 53.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -90.23 -150.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 40' ' ' GLN . . . -136.56 -86.46 0.2 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.491 0.186 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.01 149.53 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.685 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -144.51 163.07 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.72 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.4 m-85 -118.17 99.01 6.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 13' ' ' ILE . 11.7 p -85.06 141.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 150.04 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -99.81 162.31 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD13 HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.93 -4.17 8.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.0 m -98.2 -25.32 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.66 -0.7 26.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.545 1.153 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -73.23 147.38 44.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.814 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.9 m -103.56 125.57 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 5' ' ' VAL . 15.8 mm -125.41 116.5 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.72 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.7 m -95.72 139.68 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.03 136.4 36.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 15' ' ' LEU . 30.7 tt0 -98.93 119.49 37.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 1' ' ' MET . 13.0 m -138.63 -179.77 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.23 156.32 37.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.66 20.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.496 1.788 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -89.33 -16.88 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -71.1 148.46 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 26' ' ' VAL . 74.9 p -85.52 170.27 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 50' ' ' LEU . 16.0 mm -62.69 -41.53 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -33.75 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.298 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.92 -46.21 68.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.952 HG21 HD11 ' A' ' 56' ' ' LEU . 49.1 t -63.81 -41.13 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.883 ' HG3' HD11 ' A' ' 43' ' ' LEU . 16.3 mtpt -66.07 -36.72 83.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.72 94.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.85 -49.99 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.76 -32.43 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' GLY . 39.3 tt0 -65.32 -56.95 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -25.81 66.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -75.11 -75.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.14 -56.06 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 124.74 4.34 7.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 89.7 mt -78.69 143.37 62.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 156.74 43.06 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 -31.4 6.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.95 -35.82 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 109.367 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 5.0 tp60 -90.82 4.33 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.572 ' HG3' HG22 ' A' ' 36' ' ' ILE . 26.1 mt-30 -93.79 136.12 34.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -133.48 100.53 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.883 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.1 mt -97.03 117.68 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -106.15 130.73 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 61' ' ' ILE . 5.2 t80 -151.04 141.76 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 19.87 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.78 -10.73 61.57 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.91 145.53 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -80.94 142.63 33.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 43' ' ' LEU . 15.1 mt -74.83 121.07 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -88.54 112.82 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -47.16 103.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.01 -14.89 2.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.43 1.081 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.91 152.63 18.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -91.23 152.1 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.952 HD11 HG21 ' A' ' 26' ' ' VAL . 16.5 mt -61.36 -36.44 80.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.3 t -63.22 -37.9 89.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.08 -19.07 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -97.92 -3.58 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.372 1.045 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 45.0 t-20 54.79 53.29 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 56' ' ' LEU . 5.1 mt -82.62 138.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 60' ' ' ASN . 21.2 mm-40 -98.22 149.65 22.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.9 ttpt -50.59 141.99 11.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 53.84 38.12 27.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.54 172.78 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.394 1.058 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -107.57 107.53 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.6 mp -109.2 142.63 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 114.28 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.681 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 12.8 tp -99.0 100.25 11.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 71' ' ' LEU . 36.2 t -114.24 162.8 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.647 HD23 HD13 ' A' ' 8' ' ' LEU . 1.1 pp -87.18 146.23 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -87.8 168.57 12.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -73.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -90.2 -150.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -121.51 2.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.603 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.99 149.25 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 HD22 ' A' ' 67' ' ' LEU . 46.1 pt -144.5 163.22 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 5.9 m-85 -118.67 98.6 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 13' ' ' ILE . 9.3 p -83.75 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -114.06 147.29 38.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -99.91 165.1 11.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.595 HD13 HG13 ' A' ' 70' ' ' VAL . 12.3 tp -63.93 -13.07 42.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' LYS . 9.5 t -100.78 20.8 14.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.8 23.93 61.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.565 1.165 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -83.73 146.32 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.358 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 m -103.62 114.74 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.785 ' O ' HG12 ' A' ' 5' ' ' VAL . 70.2 mt -125.08 120.15 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.0 m -95.79 149.6 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.953 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.52 134.49 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 pm0 -101.02 107.42 18.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.224 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.953 HG13 HD12 ' A' ' 15' ' ' LEU . 34.2 m -135.12 -179.78 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mm-40 -107.28 158.39 33.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.61 21.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 p -89.26 -24.3 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.27 146.69 53.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.1 p -85.46 175.0 9.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 50' ' ' LEU . 6.0 mm -67.56 -27.42 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -69.2 -42.9 75.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -44.57 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 56' ' ' LEU . 50.0 t -65.85 -39.64 85.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -40.53 90.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -64.29 -41.47 96.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 34' ' ' GLU . 45.4 mt -64.74 -37.84 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.4 tt0 -62.74 -59.0 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -26.39 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -78.51 -72.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.29 -60.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.16 -4.3 5.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -78.72 142.55 61.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.99 153.58 41.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.09 -25.86 11.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -69.15 -43.37 74.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.55 13.71 15.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.385 1.053 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.598 ' HG2' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -94.08 134.47 36.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -133.63 98.29 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 69' ' ' LEU . 7.2 mt -97.32 121.45 39.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.75 136.68 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG12 ' A' ' 61' ' ' ILE . 7.6 t80 -151.45 124.17 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.42 20.05 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.9 -11.21 69.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -104.35 134.61 47.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 0.758 . . . . 0.0 109.212 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.46 140.86 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 23' ' ' ILE . 10.7 mt -76.21 118.38 18.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -89.08 120.02 30.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 0.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.03 103.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.15 -15.79 1.91 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -96.72 149.29 21.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -94.37 151.99 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 26' ' ' VAL . 4.5 mt -57.56 -37.57 73.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.25 -40.96 98.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.96 -20.63 58.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.83 -6.76 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 55.08 57.3 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mt -78.9 148.71 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.0 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -51.12 127.21 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 10.2 pt-20 48.91 48.3 20.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.516 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 20.6 t -64.62 172.82 2.47 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -105.03 107.06 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 7.0 mp -109.18 144.61 37.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -106.92 115.3 29.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.7 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -102.23 106.72 17.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG13 HD13 ' A' ' 8' ' ' LEU . 25.9 t -114.36 147.69 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 71' ' ' LEU . 0.8 OUTLIER -83.13 152.45 25.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -90.67 169.48 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -61.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -90.08 -149.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -135.57 -142.5 4.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 110.97 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.3 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.546 0.212 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -92.64 152.83 19.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pp -143.86 161.58 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.678 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.7 m-85 -118.96 119.66 34.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -108.31 155.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 143.71 44.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 13' ' ' ILE . 41.0 p -101.05 173.05 6.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.56 -15.09 57.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.641 ' O ' HG22 ' A' ' 9' ' ' THR . 6.4 m -98.93 24.86 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.4 20.27 5.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -83.83 151.21 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -102.97 122.26 44.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 7' ' ' THR . 48.3 mt -124.97 119.4 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.9 m -95.9 139.26 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -137.86 135.47 36.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.93 113.47 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.766 HG11 HG13 ' A' ' 26' ' ' VAL . 27.8 m -129.86 174.48 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -107.29 159.64 29.39 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.77 21.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -89.26 -19.42 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.99 142.88 45.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 26' ' ' VAL . 64.8 p -85.49 171.35 11.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.383 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG22 ' HD2' ' A' ' 27' ' ' LYS . 16.6 mm -58.16 -43.6 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.54 -32.97 70.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -48.48 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.766 HG13 HG11 ' A' ' 17' ' ' VAL . 17.2 t -63.91 -37.26 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD2' HG22 ' A' ' 23' ' ' ILE . 8.2 mttp -66.19 -47.13 74.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.62 74.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.7 mttt -64.93 -44.68 88.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.563 HG23 ' CD ' ' A' ' 34' ' ' GLU . 26.1 mt -64.06 -33.4 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLY . 14.5 tt0 -65.25 -63.09 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -22.42 60.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.39 -74.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.563 ' CD ' HG23 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -71.3 -56.69 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.11 0.63 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.75 HG23 ' HD2' ' A' ' 37' ' ' PRO . 14.6 mt -78.28 143.36 64.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.804 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.04 152.23 40.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.6 Cg_endo -74.92 -26.19 11.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -44.02 73.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.83 20.03 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 1.9 mt-30 -94.08 133.6 37.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 12.2 ttt180 -133.43 89.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD2' HD13 ' A' ' 69' ' ' LEU . 3.5 mt -97.22 121.39 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.28 143.06 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.936 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -152.79 120.15 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.09 13.58 8.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.21 -4.1 70.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.33 137.41 45.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.33 139.0 36.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 43' ' ' LEU . 18.2 mt -75.44 115.91 15.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 112.86 24.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.13 104.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.93 -14.43 2.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.3 mtt-85 -96.68 150.84 20.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.5 p -99.06 150.47 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.8 mt -62.37 -28.13 69.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 t -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.48 -15.17 24.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.52 -14.28 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 54.9 69.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 ' CE2' ' A' ' 45' ' ' PHE . 17.0 mm -88.02 142.68 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.03 145.8 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -50.67 133.07 26.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 54.55 53.85 10.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -75.19 166.5 23.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -107.18 100.63 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.3 mp -109.13 145.17 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.46 110.19 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 43' ' ' LEU . 4.0 tp -96.64 93.75 6.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 42' ' ' ARG . 3.6 p -114.24 165.85 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -87.1 168.5 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 71' ' ' LEU . 6.9 mmt180 -93.13 160.79 14.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -59.85 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -150.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.57 -139.11 4.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' VAL . 18.3 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.462 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.22 149.46 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -139.06 163.05 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 14' ' ' THR . 9.0 m-85 -118.68 103.0 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.8 p -88.87 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.15 145.05 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' THR . 5.6 p -100.71 159.64 15.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.46 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -67.32 -3.1 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' THR . 91.3 m -98.1 -9.92 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.95 -6.45 69.5 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.14 149.59 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -103.55 127.58 50.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.804 ' O ' HG12 ' A' ' 5' ' ' VAL . 29.5 mm -125.44 117.14 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.558 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.0 m -95.96 142.26 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.35 132.28 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -97.11 113.62 25.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG11 HG13 ' A' ' 26' ' ' VAL . 33.8 m -132.95 177.45 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.218 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' HD12 ' A' ' 56' ' ' LEU . 4.0 mt-10 -107.43 160.95 24.72 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.64 20.64 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -89.29 -24.24 22.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.54 143.13 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.9 p -85.69 173.64 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 50' ' ' LEU . 12.3 mm -61.78 -36.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 14.3 pt-20 -63.69 -37.86 88.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 t-20 -67.35 -44.3 79.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 17' ' ' VAL . 59.6 t -64.0 -43.09 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -63.88 -42.06 97.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.1 88.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -42.41 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG21 HE22 ' A' ' 41' ' ' GLN . 50.8 mt -63.16 -33.96 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.0 tt0 -65.48 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.22 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.89 -27.4 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -74.8 -78.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -56.88 4.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.03 28.93 1.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.8 mt -89.72 142.47 29.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.97 145.65 31.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -26.2 11.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -68.19 -42.63 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -91.12 14.9 12.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.677 ' OE1' HD21 ' A' ' 43' ' ' LEU . 4.7 mm-40 -93.14 124.62 37.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -133.47 97.58 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.677 HD21 ' OE1' ' A' ' 41' ' ' GLN . 4.0 mt -97.4 120.6 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.82 141.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.769 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -154.48 126.4 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.6 17.92 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.056 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.54 -12.23 70.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -103.68 137.11 42.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.6 141.72 31.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.197 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 23' ' ' ILE . 14.2 mt -75.85 119.96 20.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.38 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.06 115.56 26.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -47.27 103.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.46 -14.83 2.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -96.84 146.7 24.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.5 p -90.27 149.72 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 26' ' ' VAL . 5.7 mt -61.91 -28.77 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -62.44 -50.85 69.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.39 -13.22 37.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -97.84 -13.62 21.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 54.95 60.38 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.769 HD12 ' CE2' ' A' ' 45' ' ' PHE . 9.6 mm -78.91 146.39 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.88 145.54 24.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.43 125.19 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 54.8 49.28 18.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -72.09 172.51 9.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -107.11 107.91 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.7 mp -108.76 149.79 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -107.16 110.59 22.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.615 1.197 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 ' OE1' ' A' ' 41' ' ' GLN . 5.9 tp -94.63 98.88 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.35 159.65 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -87.08 150.76 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.16 169.83 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -90.19 -151.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.61 -120.39 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 20.2 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.418 0.151 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -95.12 152.07 18.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.59 157.5 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.71 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.0 m-85 -120.22 105.9 11.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 13' ' ' ILE . 5.2 p -95.62 152.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.379 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -107.9 148.57 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.5 p -105.77 167.17 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.55 -15.71 58.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 9' ' ' THR . 2.9 m -99.21 24.64 7.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.78 18.23 7.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.07 150.9 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -99.71 124.34 44.86 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 5' ' ' VAL . 18.9 mm -125.23 113.96 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.71 HG23 ' CD1' ' A' ' 4' ' ' PHE . 3.4 m -95.92 140.12 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.26 134.22 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -100.89 109.82 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 26' ' ' VAL . 5.6 m -130.01 178.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.35 160.33 26.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.71 21.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -24.7 22.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.79 145.31 54.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.1 p -85.71 173.0 10.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.621 HD11 HD13 ' A' ' 50' ' ' LEU . 5.4 mm -62.54 -37.75 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -37.13 85.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -45.9 74.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 17' ' ' VAL . 86.3 t -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HG3' HD11 ' A' ' 43' ' ' LEU . 1.7 mtpt -66.09 -42.75 88.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.37 81.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.55 -45.97 81.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' GLU . 20.6 mt -63.39 -35.72 73.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.3 tt0 -65.29 -58.44 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -32.51 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -76.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.95 -61.57 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.09 10.29 6.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.1 mt -87.61 142.79 33.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 158.18 42.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.96 -25.95 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.432 1.754 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -68.94 -38.68 79.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.99 5.64 49.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HG2' HD21 ' A' ' 43' ' ' LEU . 1.8 tt0 -93.45 128.08 39.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -134.05 100.56 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 27' ' ' LYS . 5.3 mt -97.76 121.39 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 mm -109.18 142.3 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 1.1 t80 -151.62 117.79 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.76 33.54 23.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.46 0.98 59.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -101.19 124.56 47.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.02 125.19 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.621 HD13 HD11 ' A' ' 23' ' ' ILE . 8.0 mt -79.58 103.04 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.229 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 135.46 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.349 1.03 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.12 108.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.86 -17.73 2.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -96.7 142.95 28.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 p -98.88 153.55 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 61' ' ' ILE . 3.7 mt -61.22 -28.24 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -63.14 -54.67 34.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.923 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.1 -17.34 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.5 m-85 -97.58 -15.81 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 54.86 66.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -83.69 144.2 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.23 152.48 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 127.98 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 54.88 49.74 17.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -67.81 168.13 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.36 98.36 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 mp -104.69 149.91 25.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.07 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.537 ' HB2' HG21 ' A' ' 5' ' ' VAL . 11.2 tp -97.97 90.13 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 71' ' ' LEU . 92.6 t -104.72 164.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 mt -86.56 161.19 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -92.65 151.66 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.16 -66.86 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -150.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.7 -105.69 0.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.989 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.0 ptp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.491 0.186 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -87.66 149.79 24.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -142.97 161.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.2 m-85 -118.67 103.79 10.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 13' ' ' ILE . 7.6 p -92.48 147.21 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -108.58 155.12 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.439 ' HB ' HG22 ' A' ' 9' ' ' THR . 3.8 m -99.98 164.53 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 70' ' ' VAL . 13.1 tp -64.62 -11.39 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 11' ' ' LYS . 15.0 t -99.97 -10.95 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.05 13.09 43.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HG3' HG23 ' A' ' 9' ' ' THR . 7.9 mtpt -75.06 151.09 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 m -103.39 117.87 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.743 ' O ' HG12 ' A' ' 5' ' ' VAL . 45.1 mt -125.07 113.4 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 4' ' ' PHE . 13.9 m -95.74 143.4 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -138.64 134.55 33.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -99.24 119.67 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG13 ' A' ' 26' ' ' VAL . 14.8 m -140.11 178.59 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.4 mt-10 -107.4 161.34 23.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -15.82 20.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.29 -24.59 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.24 143.91 56.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -85.38 171.93 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.648 HD12 HD13 ' A' ' 50' ' ' LEU . 27.7 mm -59.46 -49.57 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -54.62 -36.72 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -65.64 -44.33 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -63.71 -44.57 98.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -63.13 -41.04 99.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.07 88.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -64.45 -43.9 92.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.1 mt -63.76 -34.91 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLY . 34.9 tt0 -65.09 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -31.1 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -77.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.71 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 127.52 -0.54 6.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 37' ' ' PRO . 20.0 mt -78.8 143.02 61.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.754 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 152.45 40.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.1 -18.28 18.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.47 -42.12 79.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -91.46 0.79 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 2.6 tt0 -93.21 126.0 38.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -133.84 103.83 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.3 mt -97.55 122.89 41.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -104.54 144.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.2 t80 -152.5 130.17 11.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.17 16.82 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 -12.8 68.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.31 136.69 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.774 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -79.17 140.93 37.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD13 HD12 ' A' ' 23' ' ' ILE . 13.4 mt -75.92 117.13 17.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.28 114.63 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.19 104.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.68 -15.94 2.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -96.81 155.88 16.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 p -99.28 148.02 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 26' ' ' VAL . 1.5 mt -57.27 -31.91 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.7 t -63.19 -41.92 99.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.041 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -18.51 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.628 ' HB2' HD12 ' A' ' 61' ' ' ILE . 26.0 m-85 -98.3 -10.03 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 55.45 59.87 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -82.05 142.16 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.75 153.51 17.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.47 130.01 23.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.6 mp0 54.91 53.3 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -72.1 170.96 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.42 104.61 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.2 mp -108.94 146.2 34.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -107.11 114.73 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 109.615 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tp -94.95 104.05 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 8' ' ' LEU . 8.5 p -114.2 164.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.86 -172.56 4.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -91.68 151.28 20.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.94 -55.05 5.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptt85 -91.0 111.62 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.39 135.41 3.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.504 0.192 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.92 149.08 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.9 157.44 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.54 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.3 m-85 -118.71 99.41 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 13' ' ' ILE . 10.2 p -88.88 143.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 150.88 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' HD12 ' A' ' 13' ' ' ILE . 47.1 p -99.95 164.06 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.905 ' CD1' HG22 ' A' ' 70' ' ' VAL . 1.6 tp -66.34 -6.21 13.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -98.52 -21.47 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.93 3.66 34.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.56 1.163 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -73.55 146.67 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -103.13 121.47 42.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.766 ' O ' HG12 ' A' ' 5' ' ' VAL . 26.8 mt -125.26 117.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 4' ' ' PHE . 22.4 m -95.67 146.22 24.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.966 HD12 HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -138.27 136.47 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.717 ' N ' HD13 ' A' ' 15' ' ' LEU . 3.5 pt-20 -100.95 112.3 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.966 HG13 HD12 ' A' ' 15' ' ' LEU . 22.8 m -135.11 -177.68 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -107.2 158.17 33.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -14.97 20.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -89.36 -24.13 22.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.583 1.177 . . . . 0.0 109.933 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 146.47 54.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.5 p -85.71 169.52 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 7.9 mm -62.68 -32.67 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.24 -38.74 85.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -47.87 72.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 56' ' ' LEU . 93.1 t -64.0 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG2' HD11 ' A' ' 43' ' ' LEU . 9.1 mtmt -65.17 -40.84 94.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.2 96.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.34 97.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.99 -35.88 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' GLY . 37.3 tt0 -64.91 -52.42 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -31.06 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.12 -72.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.21 -61.29 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.259 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 129.88 -6.27 6.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.0 mp -79.7 142.65 57.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.09 154.24 41.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.92 -23.22 14.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.66 -44.39 74.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.9 19.42 5.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 8.0 mt-30 -93.43 138.65 31.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.71 84.51 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -97.13 124.12 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -109.67 144.41 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.877 ' HB2' HD21 ' A' ' 50' ' ' LEU . 11.1 t80 -159.41 125.32 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.37 20.72 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.74 -7.22 77.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.56 146.05 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -79.03 142.16 36.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 ' HB2' ' A' ' 45' ' ' PHE . 19.1 mt -68.92 110.85 4.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -89.2 126.09 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.189 . . . . 0.0 110.377 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -51.49 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.381 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.69 -19.03 26.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -97.0 141.21 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 p -98.01 167.69 10.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 26' ' ' VAL . 14.3 mt -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.1 t -61.79 -37.11 83.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -19.94 64.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -98.72 -5.89 30.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.3 t30 56.95 54.5 6.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.55 HG12 ' CE2' ' A' ' 45' ' ' PHE . 11.8 mt -80.87 139.61 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -94.89 156.88 16.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 130.57 25.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.4 mp0 54.48 54.67 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HG23 ' A' ' 61' ' ' ILE . 7.8 m -75.23 166.83 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -103.44 105.93 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 4.0 mp -109.07 145.54 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -107.06 109.26 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.636 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 43' ' ' LEU . 5.7 tp -94.03 112.21 24.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 8' ' ' LEU . 3.9 t -114.42 136.51 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -164.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' NE ' ' O ' ' A' ' 74' ' ' ARG . 1.2 ptm180 -88.97 177.76 6.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 6.2 mmt180 -91.29 109.05 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.34 167.5 37.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.9 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -92.1 146.64 23.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -137.35 160.63 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' HG2' ' A' ' 64' ' ' GLU . 5.9 m-85 -120.82 108.93 14.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.8 147.69 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -108.44 157.35 18.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 9' ' ' THR . 4.9 m -99.86 166.22 11.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -64.95 -10.75 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.488 HG23 ' HG3' ' A' ' 11' ' ' LYS . 14.8 t -99.9 -22.13 15.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.47 11.49 17.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 9' ' ' THR . 14.9 mttt -73.81 147.72 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -103.39 119.51 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -125.07 115.76 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 4' ' ' PHE . 7.5 m -95.77 143.01 27.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -138.26 138.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.21 118.47 37.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 26' ' ' VAL . 22.8 m -140.32 176.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -107.28 161.67 22.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.09 21.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -89.24 -25.43 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.46 143.35 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . 47.5 p -85.58 170.15 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.541 HD12 HD13 ' A' ' 50' ' ' LEU . 11.2 mm -58.6 -40.39 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -36.86 81.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.205 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.71 -45.28 83.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 56' ' ' LEU . 18.6 t -63.7 -44.96 98.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -61.71 -42.04 98.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.7 88.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.809 ' HB3' HD21 ' A' ' 15' ' ' LEU . 7.1 mttt -63.9 -41.0 97.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.601 HG13 HD22 ' A' ' 15' ' ' LEU . 23.4 mt -64.4 -35.57 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.8 tt0 -64.42 -59.39 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -26.81 63.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -75.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -68.53 -59.26 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 131.76 -3.74 5.36 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.784 HG23 ' HD2' ' A' ' 37' ' ' PRO . 7.8 mt -78.41 143.57 64.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.425 0.72 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.03 152.21 40.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.393 1.733 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.98 -18.14 19.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.87 -43.95 74.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.02 17.73 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 110.23 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 38' ' ' PRO . 12.7 mt-30 -93.77 131.36 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' C ' HD23 ' A' ' 43' ' ' LEU . 14.6 ttm-85 -133.9 93.92 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . 4.8 mt -96.62 120.66 37.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.37 141.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.1 t80 -151.76 118.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.63 23.08 12.87 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.48 -0.89 88.49 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -108.52 134.8 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 132.34 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 43' ' ' LEU . 11.6 mt -70.3 113.51 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 118.24 28.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.77 -14.65 2.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -96.43 144.23 26.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 p -93.43 143.76 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -55.16 -35.4 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.361 1.038 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -62.88 -48.0 80.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 -12.92 42.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -97.91 -16.07 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 65.02 59.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.783 HD12 ' CE2' ' A' ' 45' ' ' PHE . 15.7 mm -81.94 140.73 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -96.82 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.85 129.22 22.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 1.7 mp0 54.52 55.19 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.234 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.498 ' OG ' HD11 ' A' ' 67' ' ' LEU . 12.7 p -70.82 156.79 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 50' ' ' LEU . 5.7 mp -109.28 146.57 34.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -106.75 113.38 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.45 103.35 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 8' ' ' LEU . 83.3 t -114.27 159.62 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -87.03 -168.8 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -89.49 170.08 10.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -52.12 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -167.66 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.66 -100.68 2.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.924 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' VAL . 16.8 ptp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -89.48 150.36 22.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.858 HD13 HD13 ' A' ' 67' ' ' LEU . 1.6 pp -140.81 156.86 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.681 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.6 m-85 -119.26 108.1 14.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -97.8 150.79 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.8 148.53 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' LYS . 24.7 p -101.35 162.98 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -66.32 -6.65 14.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 m -98.51 -5.67 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.474 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.09 81.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 7' ' ' THR . 1.0 OUTLIER -73.05 148.69 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -103.59 130.5 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.0 mt -125.37 123.51 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.681 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.3 m -98.59 138.89 35.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -138.38 135.14 35.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' N ' HD13 ' A' ' 15' ' ' LEU . 18.1 tt0 -100.45 119.11 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 15' ' ' LEU . 35.5 m -136.68 179.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.3 156.82 36.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.97 21.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.25 -25.02 21.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.44 146.56 54.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.3 p -85.43 171.69 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 50' ' ' LEU . 22.2 mm -57.93 -53.47 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.94 -36.93 50.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -44.34 90.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.759 HG21 HD11 ' A' ' 56' ' ' LEU . 60.8 t -63.54 -44.95 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -37.04 85.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.85 98.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 15' ' ' LEU . 31.6 tttt -63.68 -46.94 83.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' OE1' ' A' ' 34' ' ' GLU . 25.2 mt -63.14 -32.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLY . 33.0 tt0 -65.37 -63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -27.82 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -78.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' OE1' ' CG2' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -68.98 -58.1 4.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.48 19.09 3.54 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.732 HG23 ' HD2' ' A' ' 37' ' ' PRO . 13.9 mt -89.24 142.97 30.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.217 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.03 148.23 34.89 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.514 1.797 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.01 -23.11 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -68.75 -39.4 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.235 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -93.77 6.79 47.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -93.32 130.53 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -133.93 100.6 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.86 120.72 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -104.51 142.05 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 61' ' ' ILE . 1.4 t80 -154.5 125.32 7.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.91 17.41 7.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.17 -4.37 82.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.96 137.99 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.216 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.73 136.41 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 HD12 ' A' ' 23' ' ' ILE . 21.0 mt -71.56 116.05 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.04 114.5 25.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -47.06 105.68 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.82 -12.47 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.51 154.8 17.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -97.18 144.39 27.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.759 HD11 HG21 ' A' ' 26' ' ' VAL . 26.6 mt -58.03 -36.35 72.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -61.81 -45.85 92.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -14.06 50.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -98.68 -11.95 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.92 61.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.26 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 45' ' ' PHE . 5.9 mm -87.9 135.95 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -96.05 153.45 17.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 130.75 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 54.73 55.13 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 m -74.08 168.25 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -106.75 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 3' ' ' ILE . 5.1 mp -105.21 148.02 27.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -107.37 112.16 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 41' ' ' GLN . 8.3 tp -95.11 97.73 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 8' ' ' LEU . 74.8 t -114.3 161.68 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.0 mp -86.65 167.63 14.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.97 176.87 6.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.91 -77.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.04 -93.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.76 -83.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.978 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 23.0 ptp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -89.28 149.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.74 167.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 m-85 -117.67 99.24 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 13' ' ' ILE . 2.1 p -89.37 147.06 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.82 156.93 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.71 HG23 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.92 162.33 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.45 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.624 HD11 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.23 -6.53 14.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -98.45 -14.94 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 1.16 55.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.67 42.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -103.17 121.74 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.71 HD13 HG23 ' A' ' 7' ' ' THR . 3.6 mp -125.36 120.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.532 HG23 ' CD1' ' A' ' 4' ' ' PHE . 14.3 m -97.05 145.25 26.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD12 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -136.26 130.71 33.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' H ' HD13 ' A' ' 15' ' ' LEU . 2.3 pt-20 -100.38 107.58 19.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG13 HD12 ' A' ' 15' ' ' LEU . 15.1 m -129.83 -178.56 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -107.39 160.03 28.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -13.64 21.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.567 1.825 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.37 -22.7 22.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 109.986 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 144.39 54.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 26' ' ' VAL . 76.0 p -85.66 170.2 12.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.537 ' CD1' HD13 ' A' ' 50' ' ' LEU . 23.1 mm -58.04 -47.18 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.9 -39.99 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.09 -42.34 99.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 22' ' ' THR . 9.2 t -63.73 -48.82 84.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.67 -40.85 89.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.81 -40.31 96.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.2 mt -62.8 -36.53 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLY . 29.1 tt0 -65.44 -60.51 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -30.76 15.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 10.3 tttt -75.01 -74.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.17 -59.71 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.37 34.43 0.76 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.0 mt -89.66 142.62 29.46 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 143.03 28.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.02 -25.84 11.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.33 -33.5 74.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.12 14.47 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.525 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.3 mm-40 -93.18 124.95 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.58 97.26 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.6 mt -97.17 120.28 37.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.93 142.04 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.3 t80 -154.74 130.76 10.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.76 20.86 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.369 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -11.29 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -103.51 139.01 39.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 0.701 . . . . 0.0 109.325 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -82.7 140.35 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 23' ' ' ILE . 10.7 mt -73.65 121.46 20.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.73 111.73 21.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 p-10 -47.1 102.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.21 -16.27 1.9 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -96.83 156.64 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -98.99 146.06 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 61' ' ' ILE . 4.0 mt -52.35 -31.92 35.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -17.08 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 36.6 m-85 -99.0 -8.63 25.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.68 50.89 14.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 45' ' ' PHE . 5.1 mt -79.57 140.77 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.81 149.48 21.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -50.93 141.53 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.34 46.38 26.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 171.63 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -107.69 104.35 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 5.9 mp -109.43 143.31 39.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.47 112.0 24.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.626 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -95.46 101.33 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.624 HG13 HD11 ' A' ' 8' ' ' LEU . 91.8 t -114.34 165.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' N ' HG12 ' A' ' 70' ' ' VAL . 4.9 mt -86.3 151.04 23.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -84.6 169.65 14.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.354 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.01 -70.92 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -90.24 -150.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.61 109.04 0.81 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.947 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.54 ' H2 ' ' HA ' ' A' ' 18' ' ' GLU . 22.6 ptp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.489 0.185 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 37.6 tt0 -92.95 149.55 21.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.48 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.86 171.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.6 m-85 -118.74 101.63 8.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.449 HG22 ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -89.02 139.12 17.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.72 28.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -99.88 169.38 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.872 HD13 HG13 ' A' ' 70' ' ' VAL . 12.2 tp -64.25 -12.32 40.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 1.1 t -100.63 15.49 27.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.03 63.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 8.3 tttt -74.46 145.94 43.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -103.12 114.2 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -124.92 118.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 4' ' ' PHE . 17.0 m -96.01 145.3 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -138.21 130.42 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -97.61 108.06 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 15' ' ' LEU . 20.2 m -130.94 -178.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -107.26 159.27 30.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -15.16 21.1 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -23.33 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.8 146.72 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -85.53 171.72 11.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.672 HG22 ' HE3' ' A' ' 27' ' ' LYS . 17.6 mm -60.98 -44.17 97.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -31.59 71.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.53 -49.45 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.783 HG21 HD11 ' A' ' 56' ' ' LEU . 59.4 t -63.73 -38.61 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.206 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HE3' HG22 ' A' ' 23' ' ' ILE . 3.7 mtmp? -66.38 -41.77 88.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.95 91.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.92 -45.31 89.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' GLU . 17.7 mt -63.99 -35.09 72.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' GLY . 22.2 tt0 -65.36 -58.26 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -54.5 -31.61 56.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -75.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' ILE . 12.2 mm-40 -62.71 -63.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.36 -1.05 6.54 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.514 HG23 ' HD2' ' A' ' 37' ' ' PRO . 8.2 mt -78.72 136.82 58.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 156.78 42.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -13.61 21.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.43 -50.04 49.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.481 HE22 HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -91.0 22.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.245 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.922 ' OE1' HD21 ' A' ' 43' ' ' LEU . 5.1 mm-40 -93.6 128.03 39.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -133.72 92.91 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 ' OE1' ' A' ' 41' ' ' GLN . 7.3 mt -97.18 117.64 31.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.7 140.2 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -151.5 129.23 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.86 23.87 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.206 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 -4.41 83.42 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -106.46 133.65 50.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.46 138.42 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 45' ' ' PHE . 6.6 mt -78.44 115.34 18.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -89.09 120.62 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -48.1 105.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.61 -13.46 2.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -96.7 156.12 16.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 p -98.52 151.58 20.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.783 HD11 HG21 ' A' ' 26' ' ' VAL . 25.4 mt -61.06 -38.68 87.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -63.52 -37.03 85.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.18 -19.43 64.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -98.37 -2.89 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.8 t30 54.72 50.02 16.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.379 1.049 . . . . 0.0 109.357 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 45' ' ' PHE . 63.8 mt -83.02 138.22 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -95.93 153.22 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.4 142.54 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.7 mt-10 53.67 46.11 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -75.17 171.17 14.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.47 103.37 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.22 139.6 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.52 107.64 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -95.92 101.48 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 8' ' ' LEU . 69.8 t -114.18 166.68 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.516 ' N ' HG12 ' A' ' 70' ' ' VAL . 4.8 mp -86.57 -171.73 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 18.2 ptt180 -89.75 156.34 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 -73.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -150.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.07 83.15 0.31 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 14.4 ptp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.479 0.181 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 34.0 tt0 -90.97 149.08 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.644 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -141.85 167.61 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.524 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.2 m-85 -118.83 102.2 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -90.21 139.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -106.97 146.04 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.574 ' OG1' HD13 ' A' ' 13' ' ' ILE . 20.9 m -99.9 170.53 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 70' ' ' VAL . 15.3 tp -63.77 -13.17 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 9' ' ' THR . 43.8 m -100.67 28.51 5.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.58 4.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -82.07 147.89 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 m -103.17 118.8 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' OG1' ' A' ' 7' ' ' THR . 4.1 mp -125.14 115.13 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.524 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.5 m -95.74 140.02 31.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -137.93 128.92 27.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.17 120.35 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.52 HG11 HG13 ' A' ' 26' ' ' VAL . 17.9 m -140.13 178.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.07 161.62 22.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -15.02 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -24.33 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.81 144.43 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.2 p -85.58 170.75 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' HA ' HD13 ' A' ' 23' ' ' ILE . 8.3 mm -62.57 -42.23 95.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -35.12 76.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.6 73.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 56' ' ' LEU . 43.5 t -63.85 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -65.37 -42.08 93.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.8 85.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.2 mttp -63.85 -47.85 79.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.594 HG12 HD13 ' A' ' 15' ' ' LEU . 31.3 mt -64.01 -32.76 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 37' ' ' PRO . 49.2 tt0 -65.24 -55.47 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -30.53 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -74.86 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.15 -61.68 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 128.42 -2.37 6.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.777 HG23 ' HD2' ' A' ' 37' ' ' PRO . 22.4 mt -78.75 143.31 62.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.777 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.92 154.88 43.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.03 -23.41 13.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -68.36 -32.23 72.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -99.29 13.74 32.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 17.9 mt-30 -93.56 134.56 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.619 ' HG2' HD11 ' A' ' 44' ' ' ILE . 2.6 ttm-85 -133.74 93.47 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.708 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.6 mt -97.05 120.0 36.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' ARG . 8.5 mm -107.77 141.09 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -151.0 114.65 4.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 42.81 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.47 9.36 43.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 123.75 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -78.97 130.84 35.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.708 HD12 ' HB2' ' A' ' 43' ' ' LEU . 22.8 mt -75.08 113.5 12.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 1.8 mp0 -89.09 113.78 24.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -46.93 104.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.08 -13.64 2.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ILE . 4.3 mpt_? -96.72 154.78 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -97.18 144.75 26.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 10.9 mt -55.5 -34.92 65.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 t -63.11 -41.14 99.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.28 61.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 8.2 m-85 -99.71 -15.63 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 65.02 64.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' A' ' 59' ' ' TYR . 1.2 mp -88.99 140.01 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -95.85 156.69 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.18 130.24 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 54.44 54.32 9.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -72.81 169.36 16.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.16 103.2 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 6.0 mp -109.11 143.29 38.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.89 105.82 16.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.638 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 tp -94.65 95.86 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG23 HD13 ' A' ' 8' ' ' LEU . 4.1 p -114.31 173.15 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' H ' HG22 ' A' ' 70' ' ' VAL . 4.3 mm? -83.05 172.54 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -83.05 169.0 16.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -60.08 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -90.43 -158.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ARG . . . 37.05 88.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.996 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' VAL . 8.5 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.177 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -89.18 149.26 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.581 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -139.03 161.69 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.67 ' CD1' HG23 ' A' ' 14' ' ' THR . 7.5 m-85 -118.85 102.41 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.8 148.47 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.72 153.01 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.36 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.745 ' OG1' HD13 ' A' ' 13' ' ' ILE . 2.6 m -100.93 167.53 10.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.608 1.192 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -64.23 -17.24 63.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.1 t -98.77 6.03 47.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 24.04 66.92 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -82.15 154.94 25.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.566 ' C ' HD12 ' A' ' 13' ' ' ILE . 21.1 m -103.74 118.04 35.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.745 HD13 ' OG1' ' A' ' 7' ' ' THR . 2.7 mp -125.29 111.14 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.67 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.8 m -95.74 139.36 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -138.25 134.58 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -96.17 111.92 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 26' ' ' VAL . 35.3 m -129.84 176.82 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -107.48 161.33 23.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -14.1 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.761 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 p -89.46 -25.14 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.77 141.69 57.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.4 p -86.04 175.12 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 23' ' ' ILE . 28.9 mm -60.04 -47.93 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 1.8 pt-20 -56.71 -29.88 62.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -71.47 -46.96 58.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 17' ' ' VAL . 22.0 t -64.05 -37.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -66.15 -49.94 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.8 mttt -66.97 -45.38 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 HD22 ' A' ' 15' ' ' LEU . 35.1 mt -62.37 -34.21 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLY . 28.5 tt0 -65.65 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -28.74 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -79.9 -58.49 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 125.38 32.7 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 37' ' ' PRO . 27.6 mm -90.0 143.04 29.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.02 147.37 33.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -75.01 -31.71 5.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -37.73 79.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' CB ' ' HG2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -91.39 8.51 35.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -93.58 132.29 38.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.85 99.15 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.878 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.5 mt -97.78 118.06 33.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -106.83 142.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 t80 -150.97 113.43 4.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.87 40.72 32.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.27 6.17 52.43 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.442 1.089 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -104.45 122.92 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.08 126.04 30.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 43' ' ' LEU . 16.2 mt -73.17 112.61 9.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.08 116.19 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -47.17 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.87 -10.88 3.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -96.42 153.9 17.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.74 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 p -98.67 141.95 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mt -56.36 -34.75 66.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -62.8 -41.65 99.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -17.75 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 61' ' ' ILE . 17.0 m-85 -98.5 -13.73 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 62.24 64.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 56' ' ' LEU . 1.2 mt -88.58 140.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.59 152.41 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.39 131.01 24.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.85 55.36 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -75.52 171.03 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -107.23 100.75 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 5.6 mp -108.19 147.0 31.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -107.45 115.86 30.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -101.46 94.24 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -114.08 168.71 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' N ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.35 151.81 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -83.31 166.9 18.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -66.83 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -150.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.21 -108.11 1.25 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' CA ' ' O ' ' A' ' 17' ' ' VAL . 9.1 ptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.538 0.208 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -87.59 154.3 20.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.529 ' HB ' HD13 ' A' ' 67' ' ' LEU . 2.7 pp -148.46 164.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.7 m-85 -118.79 101.87 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.1 p -91.19 145.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.98 24.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.9 p -99.74 166.59 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD12 HD12 ' A' ' 71' ' ' LEU . 2.6 mt -65.35 -8.7 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -99.36 -5.96 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.53 7.27 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -73.7 150.52 41.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 m -102.88 120.96 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 5' ' ' VAL . 61.8 mt -125.09 118.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.705 HG23 ' CD1' ' A' ' 4' ' ' PHE . 5.5 m -95.89 141.35 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -138.42 134.87 34.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -99.19 119.81 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.569 HG13 HD23 ' A' ' 15' ' ' LEU . 27.8 m -140.08 177.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.33 160.85 25.04 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.94 21.24 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.604 1.844 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -89.29 -25.29 21.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.7 144.16 57.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 p -85.49 171.28 11.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 HD13 ' A' ' 50' ' ' LEU . 4.8 mm -61.18 -39.3 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -35.73 81.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -66.63 -47.27 73.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 56' ' ' LEU . 48.2 t -63.84 -41.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.5 mtmt -61.96 -48.54 79.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.16 73.41 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 15' ' ' LEU . 11.5 mttm -64.15 -41.94 96.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 27' ' ' LYS . 10.8 mt -62.82 -38.03 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.3 tt0 -65.38 -58.84 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 -31.03 14.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -72.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.74 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 123.64 19.84 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 37' ' ' PRO . 6.4 mt -89.18 143.14 30.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.232 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -74.95 154.51 42.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.97 -27.52 10.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -38.31 79.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -91.14 4.33 52.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.8 tt0 -93.35 127.99 39.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -133.55 105.71 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.731 ' HB2' HD12 ' A' ' 50' ' ' LEU . 6.7 mt -97.66 122.49 40.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -107.81 132.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -151.0 129.52 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.3 20.27 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.24 50.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.32 140.87 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -82.06 142.85 31.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 43' ' ' LEU . 13.3 mt -76.48 122.15 24.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.18 114.36 23.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -46.83 104.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.11 -13.32 2.82 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.453 1.095 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 145.12 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 0.0 110.298 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 144.52 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 26' ' ' VAL . 3.9 mt -54.79 -31.91 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.8 t -62.97 -46.92 85.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.072 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -15.54 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.497 ' CB ' HD12 ' A' ' 61' ' ' ILE . 3.6 m-85 -98.57 -12.37 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 57.11 65.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.497 HD12 ' CB ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -85.87 145.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -94.76 153.87 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 125.33 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 54.65 53.28 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -69.82 166.6 19.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -101.68 103.51 14.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.079 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.11 144.0 37.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -107.1 116.7 32.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.53 1.144 . . . . 0.0 109.644 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD11 ' HG3' ' A' ' 41' ' ' GLN . 10.8 tp -100.0 95.49 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG22 ' H ' ' A' ' 71' ' ' LEU . 8.8 p -112.42 173.8 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD12 HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.02 160.66 25.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -91.29 10.34 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.619 1.199 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD12 HD22 ' A' ' 71' ' ' LEU . 11.4 mt -74.15 -70.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -150.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.58 -111.67 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.993 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' VAL . 25.9 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.45 0.167 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.75 147.9 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.468 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -144.71 162.16 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -118.98 110.44 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 67' ' ' LEU . 3.9 p -102.33 139.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -107.49 145.24 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.73 HG23 HD13 ' A' ' 13' ' ' ILE . 26.3 p -99.79 173.25 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 70' ' ' VAL . 11.4 tp -65.22 -9.59 24.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.9 m -99.18 22.04 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.17 8.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.2 146.99 27.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 13' ' ' ILE . 8.6 m -103.28 121.99 43.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.73 HD13 HG23 ' A' ' 7' ' ' THR . 4.2 mp -125.08 118.93 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 4' ' ' PHE . 8.4 m -95.65 143.66 26.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.512 HD11 ' HD3' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -138.1 125.47 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.254 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.68 114.92 26.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 HG13 ' A' ' 26' ' ' VAL . 29.8 m -138.8 -175.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt-10 -107.25 159.26 30.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.62 21.37 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -89.21 -24.44 22.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.06 144.07 56.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.5 p -85.65 171.42 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.461 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD13 ' A' ' 50' ' ' LEU . 40.1 mm -57.73 -57.0 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -36.61 14.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -44.31 87.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 22' ' ' THR . 4.1 t -63.19 -49.07 84.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -59.51 -38.91 82.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.41 95.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.64 -41.43 98.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' LYS . 12.8 mt -62.74 -35.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.1 tt0 -65.32 -63.07 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.177 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -29.28 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 15' ' ' LEU . 1.1 mtpt -75.93 -76.51 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.98 -58.22 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 121.7 21.46 2.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 41' ' ' GLN . 9.0 mt -89.3 138.14 28.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 151.61 40.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -75.07 -31.2 6.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -68.27 -24.96 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -93.5 -41.48 9.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 69' ' ' LEU . 1.1 pt20 -82.76 137.51 34.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.561 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.68 113.97 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.737 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -99.44 121.6 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.16 153.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.6 t80 -158.25 130.21 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 20.39 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.05 -6.69 80.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.74 137.05 44.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 0.817 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -79.16 135.56 36.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 43' ' ' LEU . 27.6 mt -68.98 114.99 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -89.1 115.79 26.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.228 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -47.22 105.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.08 -12.67 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.45 154.66 17.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 0.795 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.2 p -98.99 144.11 28.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 12.6 mt -53.15 -36.57 61.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 t -63.05 -41.89 99.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.4 58.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CE2' HD22 ' A' ' 50' ' ' LEU . 6.9 m-85 -98.19 -8.53 27.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.6 59.68 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' CE2' ' A' ' 45' ' ' PHE . 2.2 mt -81.37 138.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -98.23 158.65 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -50.53 132.73 25.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 54.49 55.25 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 61' ' ' ILE . 4.4 p -74.64 151.73 39.28 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -97.23 109.92 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mp -109.17 146.99 33.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 110.33 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.589 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tp -98.8 103.74 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 8' ' ' LEU . 2.5 p -113.24 174.84 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.531 ' H ' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -86.93 159.92 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.62 169.59 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.94 -73.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 104.64 17.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.68 142.38 5.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.988 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptp . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -86.47 150.76 24.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -143.53 161.34 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 14' ' ' THR . 8.7 m-85 -118.94 98.88 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 69' ' ' LEU . 2.6 p -86.27 137.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -107.03 145.45 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 m -99.84 169.89 8.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.07 -12.83 42.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.596 ' O ' HG22 ' A' ' 9' ' ' THR . 28.0 m -100.7 28.76 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.03 23.13 5.25 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -83.16 145.8 29.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 0.81 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -103.4 118.63 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.874 HD13 ' OE2' ' A' ' 34' ' ' GLU . 84.9 mt -124.9 117.16 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.708 HG23 ' CD1' ' A' ' 4' ' ' PHE . 2.6 m -96.18 138.83 33.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.491 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 30' ' ' ILE . 9.4 tp -138.35 134.93 34.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.393 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -97.46 118.29 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG11 HG13 ' A' ' 26' ' ' VAL . 13.0 m -138.71 -178.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.56 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -107.49 158.87 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.338 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.35 21.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -89.31 -23.66 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.088 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.96 142.89 54.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.619 1.2 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.5 p -85.97 167.1 15.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.78 -28.71 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 1.7 tt0 -67.37 -41.11 85.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.92 -46.42 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.759 HG13 HG11 ' A' ' 17' ' ' VAL . 21.0 t -64.01 -41.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' CD ' HG22 ' A' ' 23' ' ' ILE . 33.2 mtpt -62.53 -45.63 92.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.59 78.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 27' ' ' LYS . 21.7 mt -63.29 -34.89 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.2 tt0 -65.66 -60.94 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -32.14 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.387 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -74.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.874 ' OE2' HD13 ' A' ' 13' ' ' ILE . 3.1 mt-10 -66.23 -63.65 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 126.47 4.5 6.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 37' ' ' PRO . 9.5 mt -78.4 143.06 63.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 -30.92 6.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.29 -38.22 81.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -90.78 12.1 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 4.0 mt-30 -93.62 139.49 30.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.462 HH11 HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -133.89 88.93 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HB2' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -97.3 121.59 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.226 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HD11 HH11 ' A' ' 42' ' ' ARG . 18.2 mt -111.27 142.42 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 61' ' ' ILE . 1.5 t80 -157.23 126.57 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 13.0 8.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.22 3.5 78.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -110.0 151.07 27.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -83.91 137.07 33.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 23' ' ' ILE . 41.4 mt -79.06 112.28 16.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -89.49 136.5 32.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 32.0 m-20 -52.1 -21.35 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.27 14.59 60.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -107.63 142.32 37.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 p -99.91 150.4 22.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 26' ' ' VAL . 8.0 mt -62.58 -38.99 92.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -63.22 -37.2 86.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.069 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -14.6 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.726 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.8 m-85 -106.14 -9.39 16.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 t30 56.32 56.39 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.726 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -78.26 143.33 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.0 155.82 16.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.32 126.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 4' ' ' PHE . 12.7 mp0 55.01 53.51 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 61' ' ' ILE . 3.9 m -75.59 170.35 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.938 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -100.37 110.17 22.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 3' ' ' ILE . 5.7 mp -109.07 146.27 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.98 103.96 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.579 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.3 tp -97.98 102.92 14.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 71' ' ' LEU . 55.0 t -114.3 160.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.0 mm? -83.44 154.33 24.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -90.71 151.22 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -49.56 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.11 -151.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.32 -64.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 stop_ save_