data_1uph_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 1uph _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 52' ' ' GLU . 54.6 t -70.74 -59.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -138.49 147.3 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.433 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -75.18 -177.14 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.22 -55.13 31.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.87 -44.69 97.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' OE2' ' CB ' ' A' ' 9' ' ' SER . 1.2 mp0 -60.78 -32.34 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 HD21 ' CD2' ' A' ' 31' ' ' LEU . 5.8 mt -75.03 -36.93 61.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -40.5 97.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.62 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.57 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -56.96 -32.97 66.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 107.949 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.06 32.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -6.71 11.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.3 138.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -89.57 151.66 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 29' ' ' TYR . 14.7 mt -83.84 -37.98 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -128.37 152.21 77.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.78 41.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.04 -171.14 41.63 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -134.71 45.64 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -112.45 156.23 22.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 2.5 pt20 -150.1 162.3 40.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -72.88 160.63 31.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.22 173.56 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -54.99 -27.12 41.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -45.25 93.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 28' ' ' GLN . 10.8 m170 -69.64 -35.85 75.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.621 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 37.8 mt -65.64 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.51 -38.81 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CH2' HD13 ' A' ' 78' ' ' LEU . 39.4 t90 -63.83 -49.16 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 41' ' ' LEU . . . -61.1 -43.66 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -59.29 -41.13 88.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -62.85 -43.09 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -68.09 -37.72 81.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -64.48 -51.05 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -34.99 75.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -24.87 56.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.01 -6.07 59.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.39 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -123.21 140.98 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 3.3 t30 -76.0 132.72 73.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -61.33 -40.77 99.09 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.03 -11.95 61.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 41' ' ' LEU . 1.3 tp -86.95 -0.68 56.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 9.2 pt-20 -76.51 -36.54 57.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -71.39 140.73 50.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -26.33 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.21 -48.95 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -37.17 93.82 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.49 -45.02 77.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 4.1 ttt-85 -64.84 -36.01 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -63.77 -48.52 76.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.93 -47.85 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 79' ' ' TYR . 11.8 tp -55.99 -41.88 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.34 -24.0 77.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -32.85 59.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLN . 9.9 mt -93.43 -17.81 23.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -38.75 -53.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m -57.26 -17.57 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.644 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 5.0 mt -73.02 -39.26 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.7 tt0 -38.28 -43.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -140.75 37.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 75' ' ' LEU . . . -82.03 174.89 53.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 p -90.06 166.0 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.774 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.55 -42.42 82.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -67.98 -44.45 76.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 1.4 tp -58.29 -42.21 86.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -62.98 -48.5 78.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.8 m -57.8 -37.58 74.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD13 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.01 -47.09 81.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.644 ' CD2' ' CD1' ' A' ' 68' ' ' LEU . 2.8 t80 -56.94 -42.98 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.91 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.569 HG21 ' CE2' ' A' ' 29' ' ' TYR . 17.6 m -60.98 -41.64 96.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -63.85 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 104' ' ' ILE . . . -59.01 -46.42 88.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 100' ' ' ALA . 5.1 t -60.0 -42.99 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' HG ' ' NE2' ' A' ' 89' ' ' HIS . 23.7 tp -58.88 -44.51 91.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.491 ' CZ ' ' OE1' ' A' ' 90' ' ' GLN . 7.0 t80 -61.97 -37.94 86.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.2 -44.68 96.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.284 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -65.22 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.404 ' NE2' ' HG ' ' A' ' 85' ' ' LEU . 6.0 m-70 -66.74 -37.51 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -89.24 -5.35 57.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 73.77 54.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.46 HG22 ' CE ' ' A' ' 103' ' ' LYS . 30.3 mm -110.02 132.05 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.28 146.09 43.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -147.25 170.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -47.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.34 161.01 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 t -60.01 -31.79 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -44.98 68.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.15 -47.96 81.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -63.65 -38.79 92.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.66 97.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -70.95 -35.21 72.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CE ' HG22 ' A' ' 92' ' ' ILE . 8.0 tmtm? -63.15 -49.01 76.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 83' ' ' ALA . 16.4 mt -70.3 -37.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 73.5 t -126.2 -81.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -121.86 172.42 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -179.68 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.82 -56.02 27.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.91 92.52 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 6.5 mt-10 -61.03 -31.68 71.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -70.35 -45.05 66.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -56.66 -50.55 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.94 -31.25 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 2.8 tt0 -91.07 27.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -119.63 -3.55 10.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 84' ' ' VAL . 3.3 mt -87.07 130.12 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -93.69 145.71 24.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 29' ' ' TYR . 8.5 mt -77.7 -48.83 15.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.11 153.19 38.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.39 0.1 81.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 97.27 167.17 32.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.09 -60.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.21 173.42 12.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 176.15 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 21' ' ' LEU . 6.5 m-85 -72.62 156.09 39.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -160.93 -176.8 5.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.74 -24.03 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.06 86.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.41 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 12.1 m170 -71.0 -36.67 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.6 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 54.3 mt -64.44 -42.61 95.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG22 ' CD1' ' A' ' 31' ' ' LEU . 5.1 t -69.52 -35.39 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CH2' HD23 ' A' ' 78' ' ' LEU . 26.0 t90 -63.99 -48.37 76.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 107.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -64.96 -41.77 95.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 m -57.01 -46.58 82.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -39.54 87.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 60' ' ' ILE . 4.4 mm? -63.11 -51.09 67.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.68 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CB ' HG11 ' A' ' 46' ' ' VAL . 2.1 m-85 -84.85 7.28 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.5 35.53 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -122.3 150.16 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.9 125.68 87.91 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.21 2.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.07 -35.91 86.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -70.1 -12.23 61.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -77.95 -11.26 59.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 6.3 pt-20 -76.97 -4.99 46.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -113.69 140.2 48.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -57.03 -31.58 65.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -49.07 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -62.93 -39.09 97.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.01 -41.06 97.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.93 -35.95 81.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.18 -52.0 65.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' HD13 ' A' ' 41' ' ' LEU . 7.4 mt -60.4 -42.18 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -55.97 -50.08 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 -23.91 75.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -33.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.47 -19.68 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 mt-30 -38.78 -55.81 2.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.95 -40.12 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -56.95 -17.58 10.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.4 mt -72.86 -39.91 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 23.7 tt0 -37.77 -53.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -129.3 36.77 4.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.21 173.26 53.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -89.75 168.79 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.41 -42.79 92.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.201 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.16 -44.68 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.19 -42.08 90.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' CG ' HD21 ' A' ' 68' ' ' LEU . 8.6 mtt180 -61.53 -51.53 68.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -55.88 -35.41 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.559 HD23 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -65.25 -46.95 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 4.1 t80 -57.67 -42.47 83.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 82.7 m-20 -62.04 -47.02 86.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 m -60.95 -42.99 99.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.2 -40.76 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -59.83 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.495 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 6.9 t -60.83 -39.81 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 1.2 tm? -59.03 -44.98 91.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 32.1 t80 -61.98 -43.57 98.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -41.83 81.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.2 -34.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 2.4 m-70 -61.05 -43.19 99.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -87.05 2.67 48.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 64.19 61.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.1 mt -110.03 121.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.82 128.47 26.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -127.81 171.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -146.27 -47.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.96 170.7 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 21' ' ' LEU . 8.9 t -68.78 -37.35 79.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.473 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -38.66 75.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -70.45 -38.91 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 1.8 tp -68.95 -39.61 79.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -37.98 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -48.92 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.436 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -69.37 -34.93 64.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 85' ' ' LEU . 44.0 t -66.34 -54.34 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.424 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -130.68 149.86 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -174.9 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.85 -55.68 27.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -45.12 96.73 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.67 -30.85 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -73.7 -41.55 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -46.16 86.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -43.24 65.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 1.1 t-105 -56.96 -27.47 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.88 22.72 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -2.47 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 HD12 ' CG1' ' A' ' 84' ' ' VAL . 4.2 mt -87.47 126.58 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -93.64 136.54 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -67.64 -40.76 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.03 151.54 44.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.22 2.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 -12.9 51.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.51 -172.33 47.7 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.23 50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.6 100.43 10.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -87.7 135.41 33.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CE1' HD21 ' A' ' 21' ' ' LEU . 9.6 m-85 -57.52 160.77 3.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 -177.08 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -59.3 -18.8 40.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -68.88 -45.56 70.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 21' ' ' LEU . 15.5 m170 -71.15 -38.3 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.618 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 31.6 mt -66.97 -39.04 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 31' ' ' LEU . 3.3 t -65.95 -42.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.51 ' CZ3' HD23 ' A' ' 78' ' ' LEU . 43.7 t90 -63.74 -49.13 74.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.96 -40.53 85.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 t -63.15 -39.46 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -43.11 99.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.49 -47.12 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -57.87 -47.19 83.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.87 -32.89 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -76.72 -19.94 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.2 m-85 -84.59 -8.42 58.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.54 38.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.13 147.77 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.95 129.91 79.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -60.88 -41.96 99.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.64 -11.91 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -85.25 -0.82 55.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 9.7 pt-20 -76.63 -20.41 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -89.12 145.58 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 p -56.73 -31.4 64.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -49.09 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.84 92.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -41.5 97.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -37.38 82.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.49 65.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 41' ' ' LEU . 3.5 mt -58.9 -46.28 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 1.2 mt -55.9 -43.01 76.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.16 -23.94 77.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.5 -41.07 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.05 -16.57 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.2 mt-30 -38.72 -55.36 2.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 -39.7 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 m -56.95 -17.55 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.65 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 13.3 mt -73.08 -39.95 65.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -36.9 -40.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -145.89 39.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.08 172.65 54.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 p -87.04 171.15 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.03 -44.41 97.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 14.1 pt-20 -67.62 -41.59 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 5.2 tt -62.26 -41.97 98.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -61.33 -48.84 79.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -40.69 79.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD23 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.19 -47.25 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.694 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 5.0 t80 -57.5 -43.15 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 78.3 m-20 -60.23 -43.06 96.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -60.81 -42.14 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.456 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 31.9 mm -60.0 -45.41 95.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -57.06 -47.66 80.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 19' ' ' ILE . 41.9 t -59.89 -43.13 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 7' ' ' VAL . 45.7 tp -59.57 -44.51 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' ' 104' ' ' ILE . 6.6 t80 -61.91 -36.39 81.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.431 ' CB ' HG12 ' A' ' 94' ' ' VAL . 64.1 m -64.29 -43.81 93.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.13 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 52' ' ' GLU . 17.7 m-70 -62.41 -50.2 72.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.06 5.89 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.63 51.85 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.2 mt -89.66 129.65 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.45 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.431 HG12 ' CB ' ' A' ' 87' ' ' CYS . 1.6 m -122.38 171.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -174.06 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.39 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -134.46 159.99 39.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.2 m -69.74 -28.05 65.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 110.429 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -44.98 68.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.499 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 16.8 mm-40 -66.62 -47.78 71.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.65 74.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 79' ' ' TYR . 6.9 mt -66.65 -31.19 71.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -66.9 -41.41 87.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -65.93 -49.04 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 86' ' ' TYR . 49.7 mm -61.83 -35.85 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 51' ' ' LEU . 1.9 t -74.21 -62.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.499 HD11 ' CE1' ' A' ' 89' ' ' HIS . 6.4 mp -112.24 152.57 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -176.81 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.04 25.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.55 -43.49 98.94 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -31.93 71.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -38.23 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.21 -35.32 79.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -83.05 -38.78 22.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -62.75 -30.4 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.62 23.95 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 0.08 9.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 HG12 ' CG2' ' A' ' 94' ' ' VAL . 2.2 mp -87.34 133.42 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 80.6 mtt-85 -85.62 148.57 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 29' ' ' TYR . 95.0 mt -76.06 -44.37 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.95 153.0 80.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.178 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.98 2.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.45 12.17 64.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.43 -170.89 17.62 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -138.15 47.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.3 tttt -123.73 159.55 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -144.62 175.87 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CD1' HD22 ' A' ' 21' ' ' LEU . 13.0 m-85 -86.61 163.01 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.44 -177.62 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -25.57 53.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.17 93.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.416 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 8.2 m170 -71.26 -35.55 71.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.6 mm -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.96 -34.99 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CH2' HD21 ' A' ' 78' ' ' LEU . 38.6 t90 -63.91 -49.03 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.29 86.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 p -56.91 -48.14 78.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -43.09 98.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.8 -38.05 86.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -64.96 -51.12 63.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -58.57 -32.9 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.09 -26.27 42.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -84.99 -0.54 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 76.99 42.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 60' ' ' ILE . 2.1 t -124.99 139.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.95 131.97 75.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.11 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.87 99.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.04 -11.91 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 7' ' ' VAL . 11.5 tp -77.13 -10.34 59.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 7.3 pt-20 -76.88 -4.96 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -108.52 130.09 55.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -56.73 -27.58 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -49.07 48.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -62.5 -39.25 97.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.03 -39.06 83.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -68.13 -35.98 78.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -52.09 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 46' ' ' VAL . 22.7 mt -61.24 -49.64 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.649 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.72 -49.38 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.49 -23.94 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.47 -36.4 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 44' ' ' PHE . 1.3 mt -88.83 -16.16 32.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.51 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -41.56 -54.16 6.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -24.91 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -60.98 -19.61 61.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.072 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.669 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 1.4 mp -73.01 -32.82 65.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 11.2 tt0 -37.7 -40.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -144.46 39.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 175.21 39.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -88.36 166.75 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.82 -42.99 85.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -44.1 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.425 ' CD2' ' C ' ' A' ' 75' ' ' LEU . 3.1 tt -59.88 -40.38 88.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -63.43 -48.78 76.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.7 t -57.48 -40.01 77.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -61.83 -47.08 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 3.7 t80 -57.02 -43.02 81.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.25 -44.32 97.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 m -61.02 -44.37 97.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.87 -43.91 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' O ' ' SG ' ' A' ' 87' ' ' CYS . . . -56.92 -48.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 2.9 t -59.92 -34.89 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.573 HD21 ' CZ3' ' A' ' 16' ' ' TRP . 1.9 tm? -64.29 -44.02 92.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' A' ' 104' ' ' ILE . 19.8 t80 -61.9 -42.26 98.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 83' ' ' ALA . 6.5 m -63.35 -39.52 94.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 62.1 t -62.95 -38.52 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CE1' HD11 ' A' ' 8' ' ' LEU . 3.0 m-70 -74.81 -24.73 58.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CD ' ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mt-30 -88.67 -8.16 55.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.76 65.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.517 ' CG2' ' CG1' ' A' ' 94' ' ' VAL . 16.2 mm -110.07 132.18 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.34 84.67 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.517 ' CG1' ' CG2' ' A' ' 92' ' ' ILE . 4.0 m -112.25 156.91 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.42 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.33 -0.88 8.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER -159.21 140.21 12.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -59.96 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -44.08 93.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.489 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 12.3 mt-10 -68.11 -43.71 77.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.19 -47.91 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.05 -30.86 69.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.98 -40.31 87.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -70.01 -49.03 55.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.49 -34.94 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -126.41 -68.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -133.54 179.54 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -179.61 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.98 -56.1 26.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -44.85 93.35 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 34.3 mm-40 -61.0 -33.77 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -44.94 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.98 -35.86 73.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.36 -37.33 44.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -61.29 -29.18 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.72 31.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -6.65 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.06 126.44 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -80.72 151.98 28.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -44.22 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -102.52 153.72 37.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.1 -36.28 2.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -6.05 88.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.42 167.49 21.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.16 -60.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.28 -176.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -129.67 172.93 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 5.7 m-30 -59.41 178.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.35 175.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -56.28 -18.91 11.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.18 -45.07 67.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -71.0 -36.87 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.556 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 14.3 mt -69.26 -37.75 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 31' ' ' LEU . 12.1 t -67.64 -40.46 84.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 4.1 t90 -63.95 -48.98 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.29 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -43.02 99.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' CG ' HD12 ' A' ' 78' ' ' LEU . 2.0 tp10 -58.44 -47.13 84.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 60' ' ' ILE . 3.8 mm? -57.94 -50.39 73.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -32.9 67.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -23.28 43.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.472 ' CB ' HG11 ' A' ' 46' ' ' VAL . 3.2 m-85 -85.04 12.91 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 59.18 34.06 23.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -125.0 150.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -75.92 126.11 87.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -36.26 2.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.24 -24.24 58.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CA ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -65.38 -11.96 47.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 60' ' ' ILE . 13.2 mt -77.23 -0.89 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.74 -4.92 45.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -124.16 138.67 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' OE1' ' A' ' 90' ' ' GLN . 6.5 p -56.78 -32.72 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -72.62 -37.43 68.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' CA ' ' CD1' ' A' ' 50' ' ' LEU . . . -63.48 -46.88 91.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.584 1.177 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 54' ' ' SER . 30.9 p -68.83 -37.88 79.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -64.11 -38.35 90.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -47.45 69.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.205 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 41' ' ' LEU . 41.7 mt -60.72 -50.18 81.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' CG2' ' A' ' 82' ' ' ILE . 2.9 tp -58.05 -36.26 72.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.34 -23.93 72.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.82 -41.18 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.71 -13.8 31.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -40.17 -51.88 5.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -28.58 9.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -62.83 -12.98 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 3.9 mt -69.12 -33.51 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.4 tt0 -36.75 -65.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -116.8 38.41 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.3 54.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.0 p -94.11 167.4 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 0.733 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.14 -43.06 87.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -44.51 79.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.61 -40.69 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -61.78 -50.51 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -55.12 -33.93 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.007 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 ' CZ2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -68.34 -46.87 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.58 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 5.7 t80 -55.82 -42.82 76.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.524 ' ND2' ' CD1' ' A' ' 101' ' ' LEU . 37.8 t-20 -66.21 -43.02 87.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.481 HG21 ' CE2' ' A' ' 29' ' ' TYR . 58.5 m -60.96 -41.6 96.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 61' ' ' LEU . 74.7 mt -65.15 -40.51 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.5 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 2.9 t -61.01 -40.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.557 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 6.4 tp -59.01 -44.58 91.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' NE2' ' A' ' 90' ' ' GLN . 20.5 t80 -61.99 -42.98 99.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -41.9 85.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 9.3 t -63.13 -42.13 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.557 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 88.4 m-70 -60.76 -35.21 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.541 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -86.98 2.93 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 64.02 52.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 9.2 mt -110.09 131.98 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 171.25 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.354 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -146.39 -47.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -141.4 157.48 45.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.451 ' CG2' ' OH ' ' A' ' 29' ' ' TYR . 2.3 p -59.89 -37.58 79.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.82 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -68.03 -38.6 82.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -69.72 -37.83 76.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 79' ' ' TYR . 4.3 mt -68.9 -41.45 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.03 -32.26 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.92 -49.05 66.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.426 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -70.28 -34.97 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.89 -78.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -132.44 174.07 10.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -77.64 -179.45 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.74 -55.91 27.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.66 85.19 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 9.4 mm-40 -61.41 -37.6 84.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -44.96 74.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -56.27 -43.28 78.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -70.95 -40.56 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -57.07 -30.84 64.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tt0 -90.81 30.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 -3.63 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.517 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 3.1 mp -87.11 137.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -103.92 145.57 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -80.27 -39.09 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -99.12 151.96 37.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -40.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.8 -9.86 80.16 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 115.28 168.99 15.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.73 -60.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -168.52 158.62 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -116.78 170.21 8.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 36.5 m-85 -63.42 169.81 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -179.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.22 -21.87 25.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -67.09 -45.25 77.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 7.9 m170 -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 3.0 mm -66.08 -42.42 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 31' ' ' LEU . 10.6 t -67.56 -37.94 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CZ3' HD21 ' A' ' 78' ' ' LEU . 40.1 t90 -63.86 -49.13 73.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -59.17 -36.09 74.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -41.9 95.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 5.2 tp10 -68.34 -38.57 81.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 46' ' ' VAL . 3.6 mm? -57.94 -50.09 74.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -69.64 -21.41 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 2.2 m-85 -84.78 12.65 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.33 32.16 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 41' ' ' LEU . 8.5 p -124.96 150.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' O ' HD11 ' A' ' 50' ' ' LEU . 6.0 m-20 -75.57 138.02 70.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.5 90.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.48 -15.14 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.751 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -90.44 -0.51 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.37 -4.82 44.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -112.04 143.5 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -33.3 66.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -41.94 72.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.05 -39.81 88.73 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.0 -45.03 90.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.6 ttp180 -67.69 -35.96 79.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.3 -51.21 68.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 41' ' ' LEU . 25.8 mt -59.03 -50.13 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.557 HD13 ' CD1' ' A' ' 79' ' ' TYR . 5.1 tp -56.03 -37.33 69.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.37 -23.74 72.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -73.78 -41.1 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 79' ' ' TYR . 1.6 pp -94.66 -10.92 30.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -38.35 -52.73 3.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -57.08 -17.36 10.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 79' ' ' TYR . 41.7 mt -65.43 -41.7 93.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -36.81 -68.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 t -112.61 36.84 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.25 -176.86 51.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -100.91 166.68 10.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 110.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.3 -42.9 78.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.87 -44.5 76.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.95 -44.01 82.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -60.99 -51.69 68.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.419 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 4.3 t -55.28 -34.12 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD21 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 101' ' ' LEU . 2.1 t80 -56.96 -43.01 81.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.492 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 3.4 m-80 -63.77 -43.9 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -60.79 -46.76 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.484 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 61' ' ' LEU . 73.9 mt -60.1 -41.42 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.17 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 5.5 t -62.4 -40.85 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD22 ' CZ3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -58.97 -43.92 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.382 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.617 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 70.0 t80 -61.84 -45.09 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 m -56.97 -41.25 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 11.0 t -66.08 -36.96 78.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 4.8 m-70 -62.0 -39.4 92.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.44 ' CB ' HD11 ' A' ' 92' ' ' ILE . 7.0 mt-30 -86.95 -4.99 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.48 56.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -109.97 127.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.04 132.77 54.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.16 157.99 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -130.51 -46.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.04 160.73 39.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.0 t -59.99 -45.37 92.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -40.54 94.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.95 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.87 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 79' ' ' TYR . 13.1 mt -68.97 -48.75 62.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -67.54 -33.04 74.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.03 73.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -34.91 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.23 -74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tp -68.52 117.64 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.602 1.189 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -82.56 -175.66 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.17 -62.49 5.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.74 -42.33 87.28 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' SER . 9.0 tp -75.24 -44.02 48.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.69 -43.24 38.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 19.7 t-105 -57.13 -22.85 43.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -90.96 11.26 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -130.25 6.84 4.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' GLN . 92.6 mt -87.37 134.5 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -96.83 156.49 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -95.29 -31.54 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -113.23 152.44 45.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.61 2.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.63 -11.16 68.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 116.8 167.67 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 22.8 tttt 160.75 -60.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -169.66 179.44 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 3.8 pm0 -129.22 178.79 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CD1' HD22 ' A' ' 21' ' ' LEU . 24.5 m-85 -87.46 151.0 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.58 -177.8 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.33 -19.0 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -45.57 69.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 8.2 m170 -71.45 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.519 HD13 ' CE2' ' A' ' 16' ' ' TRP . 3.2 mm -67.48 -42.23 86.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 31' ' ' LEU . 24.9 t -65.69 -40.34 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CZ2' HD13 ' A' ' 78' ' ' LEU . 46.8 t90 -63.91 -49.17 73.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.93 80.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -66.3 -40.12 89.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' HD12 ' A' ' 78' ' ' LEU . 3.7 tp10 -66.54 -39.72 88.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 3.1 mm? -57.92 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -33.47 76.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -23.92 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.439 ' CB ' HG13 ' A' ' 46' ' ' VAL . 2.2 m-85 -85.02 12.2 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 68.14 9.58 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 12.0 p -107.76 150.17 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.67 129.92 80.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.25 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.97 -21.61 53.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -65.33 -12.01 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 60' ' ' ILE . 46.6 mt -77.97 -0.45 27.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 6' ' ' SER . 10.4 pt-20 -76.25 -4.73 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -122.34 131.54 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -56.58 -30.3 63.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.61 -49.05 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.38 95.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 13.1 p -64.27 -40.08 95.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -59.91 -38.98 83.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.65 -47.74 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.199 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 50' ' ' LEU . 74.3 mt -58.99 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.696 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.03 -44.14 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.54 -23.8 77.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -41.04 68.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 64' ' ' LEU . 6.1 mt -90.01 -14.92 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -40.26 -52.04 5.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.0 -33.7 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 p -56.9 -17.37 9.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 65.7 mt -67.09 -41.87 85.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.0 mm-40 -35.33 -67.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -116.6 40.01 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.67 172.34 46.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.08 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 p -93.19 168.76 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.77 -42.97 90.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.85 -44.56 80.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.52 -40.51 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.38 -51.52 68.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -55.76 -35.97 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD13 ' CZ2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -64.41 -47.3 79.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.696 ' CD2' ' CD2' ' A' ' 61' ' ' LEU . 2.5 t80 -57.27 -42.27 81.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 4.6 m-80 -62.9 -43.35 99.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -60.72 -41.46 95.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.434 HG23 ' CB ' ' A' ' 61' ' ' LEU . 49.2 mt -63.34 -43.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -59.35 -39.05 81.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 38.3 t -67.27 -40.84 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 89' ' ' HIS . 1.1 tm? -62.81 -32.85 74.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -71.73 -45.11 62.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.443 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 5.4 p -63.26 -30.96 72.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 59.9 t -71.81 -43.98 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CD2' HD12 ' A' ' 85' ' ' LEU . 2.1 m-70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.3 mm-40 -87.03 -15.99 37.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 69.5 52.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.7 mt -95.36 122.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.62 101.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 20.0 m -149.64 157.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 23.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -161.34 137.36 8.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.5 t -59.9 -41.9 92.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -45.04 92.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -65.65 -32.13 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.365 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.27 81.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 79' ' ' TYR . 13.9 mt -64.6 -39.38 93.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.02 -38.18 90.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -49.0 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 25.6 mt -61.41 -39.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 85' ' ' LEU . 2.4 t -150.38 -79.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 85' ' ' LEU . 5.3 mt -102.07 140.38 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -74.51 -176.9 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.65 -57.21 20.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.98 97.21 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.75 -31.02 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.352 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' CD2' ' A' ' 31' ' ' LEU . 6.4 mt -72.05 -45.02 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.78 -41.58 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.647 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.8 -32.78 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 108.07 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.6 tt0 -90.14 33.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.69 -6.71 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.47 HD12 ' CG1' ' A' ' 84' ' ' VAL . 1.8 mt -87.96 139.83 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 3.2 ptp180 -94.54 149.91 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.266 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 27' ' ' LYS . 2.5 mt -77.57 -44.58 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -118.36 155.61 51.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -35.44 3.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 0.42 30.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.52 -169.97 46.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.28 47.52 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 10.1 mttt -123.12 149.06 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.211 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.24 167.25 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.3 m-85 -70.74 161.38 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -170.05 174.62 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.419 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -58.14 -22.44 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.37 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 7.2 m170 -71.22 -35.93 71.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 11.2 mt -66.76 -38.74 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.0 t -69.27 -39.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 2.9 t90 -63.75 -49.22 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.05 80.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -60.92 -45.69 93.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.11 99.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 44' ' ' PHE . 3.9 tp10 -57.1 -47.87 80.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 60' ' ' ILE . 2.7 mp -57.95 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.2 -33.03 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -80.01 -21.22 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -84.63 -8.99 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 81.64 41.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 5.0 p -125.0 147.6 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.456 ' CB ' HD22 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.85 128.78 82.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.91 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.54 -38.37 94.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -67.96 -16.25 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.2 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' CD2' ' CD2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.67 -9.09 52.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.91 -4.91 46.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -112.53 133.86 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -29.18 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.44 -46.94 65.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -60.98 -42.46 99.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.5 t -63.85 -43.43 96.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.33 -39.14 86.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -46.02 86.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 41' ' ' LEU . 11.4 mt -58.95 -50.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.9 -36.05 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -26.17 71.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.04 -38.13 61.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 10.3 mt -88.94 -16.88 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -52.88 2.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -59.68 -25.87 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.47 -34.58 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.1 tt0 -36.29 -68.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -113.73 44.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.73 172.38 51.86 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.7 p -94.07 169.28 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -59.28 -43.02 92.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -44.36 78.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.3 tt -61.4 -35.0 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -51.66 57.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -38.46 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.561 HD11 ' CZ2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -65.13 -45.79 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 68' ' ' LEU . 78.1 t80 -55.98 -43.09 77.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' HD13 ' A' ' 101' ' ' LEU . 1.6 m120 -65.1 -42.1 94.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.416 HG21 ' CE2' ' A' ' 29' ' ' TYR . 94.3 m -62.56 -41.87 99.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.84 -47.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' HD11 ' A' ' 104' ' ' ILE . . . -56.93 -43.61 81.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.565 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 2.4 t -59.97 -41.54 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.542 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 5.5 tp -58.93 -46.05 88.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -61.99 -36.88 82.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.4 m -63.38 -41.54 98.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.99 -33.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.542 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 45.1 m-70 -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 22.6 tp60 -88.93 -15.93 33.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.9 52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -109.19 131.95 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.4 125.72 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 19' ' ' ILE . 1.4 m -123.42 171.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -146.03 -61.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.24 161.77 23.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 m -59.96 -37.01 78.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.15 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.404 ' CD ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -65.91 -32.02 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -65.33 -50.1 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 HD13 ' ND2' ' A' ' 80' ' ' ASN . 1.5 mt -69.03 -30.99 69.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -68.44 -41.23 80.6 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.06 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.463 HD11 ' CB ' ' A' ' 83' ' ' ALA . 20.2 mt -63.74 -35.18 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 8' ' ' LEU . 3.2 t -134.41 -75.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -132.35 179.08 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -86.5 -179.3 6.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.63 -55.98 27.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.25 88.8 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 47.0 mt-10 -61.01 -31.59 71.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -45.04 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -28.58 64.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.631 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -69.09 -33.2 73.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.028 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -90.76 31.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -118.1 -5.81 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.224 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.16 125.81 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.22 146.86 26.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.6 -40.35 49.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -107.96 152.97 41.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.05 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.01 -6.43 88.91 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.99 167.04 21.48 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.04 -60.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 179.69 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.0 169.92 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CE2' HG13 ' A' ' 84' ' ' VAL . 3.3 m-85 -60.78 167.17 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 176.08 5.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -25.47 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -45.21 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -71.05 -35.96 72.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.631 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 15.1 mt -62.85 -44.67 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.17 -30.86 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' CH2' ' HB3' ' A' ' 77' ' ' SER . 59.5 t90 -65.64 -45.67 82.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 41' ' ' LEU . . . -68.58 -49.27 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -56.95 -35.12 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -70.59 -43.04 70.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 2.5 tp10 -60.64 -50.18 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 60' ' ' ILE . 3.4 mp -58.09 -51.13 70.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -56.07 -33.03 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -23.85 42.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 3.2 m-85 -84.93 11.73 8.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.18 14.88 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.62 150.08 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.437 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 1.8 m-80 -76.06 137.67 68.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -65.8 -25.68 71.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.64 -15.48 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 57' ' ' CYS . 25.9 tp -92.65 -0.9 57.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 6.2 pt-20 -76.93 -4.89 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -115.61 139.0 50.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -56.93 -31.69 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.38 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.078 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.18 -35.35 91.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 45.2 t -66.5 -45.05 80.85 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.3 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.17 -48.61 81.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 3.4 mt -58.9 -44.87 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.692 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.84 -44.64 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.2 -22.73 78.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.37 -41.24 76.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.541 ' CD1' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.99 -11.83 25.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -36.93 -55.74 1.55 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.12 -34.05 4.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.475 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 3.4 t -56.85 -17.43 9.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.65 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.1 -40.45 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.2 mm-40 -38.15 -42.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -141.81 34.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.475 ' CA ' ' O ' ' A' ' 67' ' ' SER . . . -78.19 172.77 55.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -88.84 170.42 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.67 94.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -44.7 75.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 1.1 tt -59.59 -42.15 91.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -60.93 -50.97 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.406 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -55.13 -34.31 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -66.9 -47.38 71.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.692 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 10.0 t80 -56.75 -41.06 76.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -65.28 -44.86 86.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -60.86 -42.34 97.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 19.5 mm -61.32 -44.02 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.93 -48.43 78.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.411 1.07 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.532 HG13 ' CE2' ' A' ' 29' ' ' TYR . 3.2 t -62.82 -38.12 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 61.7 tp -59.99 -49.99 75.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.04 -34.95 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 25.9 t -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.95 -35.5 75.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.522 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 76.2 m-70 -67.77 -29.91 69.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 5.1 mm-40 -90.08 -16.18 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 67.22 51.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 7.7 mt -109.39 132.07 58.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.78 138.76 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -149.62 171.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -47.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -134.02 173.72 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 6.0 t -65.83 -44.2 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -45.02 96.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.23 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.0 -44.85 91.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.72 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.56 HD23 ' CE2' ' A' ' 79' ' ' TYR . 6.9 mt -58.02 -42.22 84.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -31.94 73.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -32.81 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.6 mt -75.09 -37.83 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.57 -69.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.24 -176.07 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.63 -177.8 5.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -59.12 11.38 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.501 1.125 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.5 -48.44 55.13 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 5.4 mt-10 -60.79 -30.92 70.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.23 -45.14 74.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.221 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -68.94 -30.36 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -69.6 -28.16 65.7 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 30' ' ' LYS . 3.8 mt-10 -90.1 31.0 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -4.89 10.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.23 121.14 37.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -84.63 140.2 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD11 ' NZ ' ' A' ' 26' ' ' LYS . 14.2 mt -69.93 -43.71 71.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CD ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -95.46 153.42 39.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.754 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 -16.24 66.41 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.72 168.47 13.62 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' CE ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 161.45 -60.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -168.19 169.46 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.79 164.2 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CE2' HG21 ' A' ' 81' ' ' THR . 4.9 m-30 -51.03 177.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -179.17 174.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -19.84 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -45.19 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -71.21 -35.85 71.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.556 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 9.4 mt -66.76 -36.81 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.7 -38.91 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.526 ' CZ3' HD23 ' A' ' 78' ' ' LEU . 24.0 t90 -65.18 -45.37 85.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 107.952 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.43 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 p -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -42.99 99.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 13.0 tp10 -66.59 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -63.34 -51.05 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -32.96 74.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -22.99 58.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -84.83 -4.22 58.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 81.73 18.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 41' ' ' LEU . 8.6 p -111.57 150.06 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.505 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 12.3 m-20 -76.23 137.63 68.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -36.84 90.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.554 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.3 -11.75 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -90.16 -0.71 57.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.2 pt-20 -78.5 -4.84 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.4 p -115.12 139.33 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -32.4 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.5 74.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.29 95.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 49.3 t -64.02 -45.13 90.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 1.7 tmt_? -61.4 -37.35 83.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -46.73 85.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 41' ' ' LEU . 1.4 mt -58.83 -49.03 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 79' ' ' TYR . 13.2 tp -55.97 -40.14 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.77 -27.1 72.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -37.5 67.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' GLN . 12.2 mt -88.75 -17.11 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -38.05 -53.47 2.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.95 -37.9 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -56.89 -17.63 10.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 79' ' ' TYR . 81.6 mt -63.5 -42.21 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -36.5 -68.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 t -113.54 37.4 3.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.28 172.87 54.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.564 1.165 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -94.47 167.83 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -58.58 -42.73 88.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.41 -44.48 78.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.14 -42.07 85.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.92 -50.45 72.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -56.24 -36.2 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD23 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.87 -47.17 78.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 65.9 t80 -56.75 -43.02 80.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.65 -47.37 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.506 HG21 ' CE2' ' A' ' 29' ' ' TYR . 12.1 m -60.72 -41.55 95.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 78' ' ' LEU . 21.5 mt -60.0 -45.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.02 76.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 4.2 t -60.02 -36.81 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -58.94 -46.93 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 58' ' ' ARG . 68.3 t80 -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 104' ' ' ILE . 83.8 m -57.15 -38.2 73.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 15.7 t -73.07 -40.08 58.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 91.5 m-70 -65.63 -21.45 66.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.2 mm-40 -106.11 -3.74 21.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.14 56.43 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 5.2 mt -103.99 131.99 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -47.0 117.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.58 171.28 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -163.55 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.439 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 1.7 p-10 -138.79 158.79 43.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.8 p -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -41.74 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 95' ' ' LYS . 34.7 tp10 -68.01 -32.36 72.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.533 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -71.04 -49.99 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.6 -34.3 77.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.07 -42.05 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -49.07 76.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.407 HD13 ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -66.46 -35.01 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.513 ' CG1' ' CD2' ' A' ' 8' ' ' LEU . 3.3 t -121.31 -73.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' CD2' ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -130.69 171.2 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -176.67 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.07 -60.32 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.1 -49.45 43.18 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -60.91 -30.73 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CD2' ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.68 -45.26 79.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -43.87 97.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -71.28 -24.89 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 1.7 t-105 -68.01 -42.25 80.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.22 40.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.59 -12.21 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -86.57 151.68 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 38.1 mt -81.0 -35.97 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.35 153.25 81.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -35.99 2.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.65 -0.3 42.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.39 -170.59 43.71 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 47.06 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 5.6 mttt -126.43 160.38 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -154.8 -179.17 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.693 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.1 m-85 -70.47 152.87 43.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -162.57 175.06 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -23.12 44.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -64.35 -45.57 87.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.7 m170 -71.2 -35.63 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 10.4 mt -66.36 -37.53 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 t -70.46 -40.01 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.567 ' CH2' HD13 ' A' ' 78' ' ' LEU . 44.7 t90 -63.71 -49.16 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -60.77 -46.24 91.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -56.72 -42.99 80.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -39.71 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' CG ' HD12 ' A' ' 78' ' ' LEU . 3.9 tp10 -67.42 -38.06 84.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 1.8 mm? -61.17 -51.21 70.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.86 -40.98 90.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.06 -23.55 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 1.2 m-85 -84.92 1.64 46.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.13 21.17 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 44' ' ' PHE . 27.9 t -96.96 150.13 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.73 124.07 88.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.08 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.1 96.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.46 -15.76 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.721 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 60' ' ' ILE . 10.7 tp -81.57 -2.72 51.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -81.02 -4.93 56.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 p -112.84 143.87 43.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.4 p -56.87 -33.37 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.9 -49.01 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.83 -44.59 94.22 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.433 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 44.7 t -63.94 -37.43 87.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -40.03 87.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -52.05 66.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 51' ' ' LEU . 5.3 mt -59.22 -40.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.695 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.99 -47.04 78.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -23.89 77.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -36.45 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.4 mt -95.19 -16.24 22.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm-40 -38.35 -53.31 3.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -33.34 4.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -57.1 -17.3 10.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 79' ' ' TYR . 22.4 mt -71.27 -40.55 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 tp60 -36.35 -40.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 t -146.72 40.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.86 172.77 50.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.39 167.63 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.83 -43.11 85.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.2 -44.56 79.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.077 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.31 -41.56 89.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -61.14 -50.62 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -34.57 64.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -66.97 -47.08 72.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.695 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 20.7 t80 -56.97 -40.39 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 97' ' ' THR . 25.8 t-20 -65.14 -46.66 80.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.6 m -60.87 -40.96 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 44.1 mt -61.73 -44.1 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . . . -57.13 -49.15 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.693 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 3.4 t -63.89 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.555 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 23.8 tp -58.95 -37.24 76.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CD2' HD13 ' A' ' 104' ' ' ILE . 41.4 t80 -76.05 -35.58 59.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' ILE . 46.3 m -59.03 -42.7 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 108.4 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.13 -47.25 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.497 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 10.6 m-70 -55.19 -25.6 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 5.4 mm100 -96.23 -16.29 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.0 ttm180 81.12 51.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.1 mt -110.08 132.08 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.79 145.08 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG13 ' CB ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -149.54 171.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -47.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 0.0 109.287 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.493 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -131.98 154.97 48.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 80' ' ' ASN . 9.5 t -59.99 -32.68 71.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.57 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.493 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 mm-40 -64.16 -38.36 90.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -71.14 -35.65 71.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -67.87 -45.3 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.02 -31.95 68.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.04 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -71.53 -36.86 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.252 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 76.3 t -136.37 -51.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -143.85 135.44 26.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -51.38 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.52 -56.96 22.3 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.533 1.146 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.51 97.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 2.1 mm-40 -60.86 -30.92 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.64 -45.1 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.1 -48.33 82.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.49 80.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.572 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -56.95 -39.75 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.95 36.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -115.64 -9.41 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.97 143.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.363 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -101.62 150.37 23.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt -83.16 -37.31 23.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -104.34 152.42 39.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.43 2.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.2 -9.64 72.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 114.59 168.34 15.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 tttt 161.31 -60.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.2 167.89 13.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.238 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -123.26 168.07 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.3 m-85 -58.82 167.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 179.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -24.99 27.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.59 -45.01 88.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 54.9 m80 -70.7 -35.97 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 42.5 mt -66.98 -36.38 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 t -71.18 -39.99 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD21 ' A' ' 78' ' ' LEU . 41.1 t90 -64.0 -49.04 74.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -59.75 -51.21 70.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 p -56.95 -33.17 66.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -67.66 -43.03 81.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -67.41 -46.97 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD1' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -60.73 -50.39 73.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.96 -42.86 72.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -72.36 -23.66 61.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 2.9 m-85 -84.95 -9.08 58.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.02 44.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.03 147.46 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -76.01 126.27 87.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -38.21 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.88 -19.5 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -20.79 64.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 0.723 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 82' ' ' ILE . 2.0 mt -79.09 -0.96 33.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.94 -4.96 46.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -125.05 141.24 52.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 25.6 p -57.28 -32.77 66.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.17 -49.12 63.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.74 -44.34 91.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.04 -41.85 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 5.7 ttp180 -62.11 -40.35 95.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.369 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.99 -52.06 66.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.1 mt -59.75 -47.78 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -55.94 -42.76 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.85 73.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -72.52 -27.89 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.9 mt -91.95 -21.33 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -55.57 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -56.72 -35.09 68.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.18 -31.62 72.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LEU . 21.2 tm0? -34.21 -40.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -150.42 42.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.15 170.62 49.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 p -88.0 171.56 10.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.3 -42.57 95.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 -44.32 75.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 68' ' ' LEU . 5.0 tt -61.11 -35.12 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' CG ' HD11 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.17 -48.31 68.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 t -54.87 -47.16 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -59.64 -47.05 87.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 1.7 t80 -58.31 -42.32 86.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.468 ' CB ' HD22 ' A' ' 101' ' ' LEU . 5.3 m-20 -59.72 -44.49 93.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 29' ' ' TYR . 34.8 m -60.77 -41.48 95.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CD1' HD23 ' A' ' 51' ' ' LEU . 6.5 mm -61.38 -46.23 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.79 -43.78 81.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.591 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 3.3 t -62.57 -37.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.514 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 1.3 tm? -62.78 -38.1 89.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 17.0 t80 -76.2 -35.58 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -39.9 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.17 -47.16 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -53.14 -39.79 63.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.88 -16.28 36.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 72.96 61.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.18 126.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -41.66 125.44 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 m -145.31 171.31 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -157.1 -45.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.46 164.74 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -59.96 -33.95 72.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.162 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -40.31 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -47.98 83.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -67.21 -33.99 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -64.53 -45.0 89.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -71.12 -37.34 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.04 -34.91 66.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 8' ' ' LEU . 3.0 t -147.42 -80.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 88' ' ' VAL . 4.9 mp -107.4 144.89 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -66.7 -175.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.994 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.48 -58.41 14.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.19 -38.75 88.2 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.75 -37.15 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -45.23 61.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.2 -33.5 67.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.97 -39.53 29.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ3' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.7 -31.58 64.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.95 29.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -2.83 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 16' ' ' TRP . 2.9 mp -87.96 126.19 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 7.4 ptt180 -84.91 146.68 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 17.9 mt -74.67 -35.39 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -128.83 153.83 79.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.37 3.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.18 -0.36 31.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.49 -168.22 44.43 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -138.58 48.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 13.0 mtmt -125.85 150.13 48.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -145.79 165.88 27.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 84' ' ' VAL . 4.2 m-30 -71.0 165.69 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.29 175.14 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -19.08 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -45.02 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -70.77 -35.42 72.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mm -63.17 -45.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.81 -34.0 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CZ3' HD23 ' A' ' 78' ' ' LEU . 31.8 t90 -63.79 -49.18 73.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.528 1.143 . . . . 0.0 108.084 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.99 92.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -44.23 82.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -62.97 -43.0 99.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -57.07 -50.05 73.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.245 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 51' ' ' LEU . 2.5 mp -58.83 -51.08 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.88 -32.88 66.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -79.79 -23.08 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CE2' HD23 ' A' ' 64' ' ' LEU . 1.3 m-85 -84.85 11.84 8.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.63 35.18 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.73 150.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.422 ' O ' HD11 ' A' ' 50' ' ' LEU . 2.1 m-20 -75.65 138.21 70.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.95 -30.09 77.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.51 -16.2 63.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 41' ' ' LEU . 37.9 tp -91.96 -0.75 57.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 6' ' ' SER . 4.8 pt-20 -76.59 -4.87 45.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 p -113.36 145.94 40.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 5.6 p -56.91 -34.35 67.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.11 -48.88 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.23 95.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 1.8 t -63.92 -42.97 97.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -67.53 -35.94 80.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -65.17 -52.08 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 41' ' ' LEU . 1.6 mp -58.93 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -56.03 -38.98 71.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.04 -23.94 73.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -72.27 -40.83 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.298 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD23 ' CE2' ' A' ' 44' ' ' PHE . 1.5 mt -91.25 -16.79 27.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -38.37 -52.79 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.04 -39.33 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.772 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -15.71 18.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 11.0 mt -73.04 -37.21 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -43.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.6 p -139.44 41.89 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 75' ' ' LEU . . . -84.15 173.38 50.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.445 1.09 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 p -87.97 171.1 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -44.35 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 16.3 pt-20 -67.63 -41.86 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -49.26 78.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -55.89 -39.2 71.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD23 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -62.64 -47.12 85.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.636 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 7.7 t80 -57.95 -39.03 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' ND2' ' CD1' ' A' ' 101' ' ' LEU . 12.4 t-20 -63.76 -46.7 84.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 29' ' ' TYR . 2.1 m -60.97 -42.78 98.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.434 ' CD1' HD12 ' A' ' 41' ' ' LEU . 17.2 mm -61.23 -47.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 61' ' ' LEU . . . -56.87 -45.59 82.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 29' ' ' TYR . 7.1 t -62.43 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.647 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 2.6 tm? -59.24 -44.12 92.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 38.4 t80 -61.94 -40.25 94.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' ILE . 1.3 m -60.42 -45.0 95.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 108.378 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' CG1' HD22 ' A' ' 8' ' ' LEU . 3.9 t -64.78 -33.03 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m-70 -61.29 -49.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 3.09 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.71 63.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' CYS . 4.4 mt -106.74 132.03 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.3 122.27 9.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.424 ' C ' ' CE ' ' A' ' 95' ' ' LYS . 3.5 m -136.39 155.46 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' CE ' ' C ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -142.79 -47.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 1.8 p-10 -135.05 156.52 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 p -59.68 -32.24 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -70.07 -44.98 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.08 -33.39 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -69.84 -50.06 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 79' ' ' TYR . 9.2 mt -65.9 -32.93 74.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -71.09 -41.97 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -49.08 71.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.459 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -65.21 -35.08 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 8' ' ' LEU . 2.6 t -65.32 -55.46 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -117.29 125.88 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -72.65 -173.35 1.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.69 -57.73 18.26 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.93 -42.35 92.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -75.26 -45.18 41.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.61 -39.8 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -41.6 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -56.98 -32.71 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 107.914 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.42 31.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -7.1 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.24 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.6 mtm-85 -84.67 149.64 25.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 33' ' ' HIS . 89.6 mt -80.45 -39.27 28.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 152.12 79.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -36.17 2.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.29 -0.62 50.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.1 -171.62 36.91 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.6 45.68 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.38 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 17.2 mmtt -120.23 164.19 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.62 -179.05 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 81' ' ' THR . 3.2 m-85 -78.51 157.61 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.42 179.74 5.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -19.96 26.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -45.46 73.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 21' ' ' LEU . 63.5 m80 -71.02 -35.92 72.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.549 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 82.6 mt -66.58 -44.13 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.82 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CH2' HD21 ' A' ' 78' ' ' LEU . 44.0 t90 -63.76 -49.03 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.52 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -41.05 97.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.09 -49.76 70.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -57.97 -45.96 85.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.4 -35.9 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -19.45 52.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CE2' ' CD2' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -84.72 -8.88 58.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.33 32.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 50' ' ' LEU . 6.0 p -123.42 150.19 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.75 136.25 70.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.52 56.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.01 -13.7 38.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 41' ' ' LEU . 78.3 mt -81.77 -0.26 42.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 58.0 tt0 -76.05 -4.99 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 p -121.33 135.99 55.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 51.8 p -56.71 -31.21 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.983 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.38 -44.8 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -61.76 -45.34 96.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 54' ' ' SER . 15.0 p -66.64 -37.18 84.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 3.9 ttp180 -65.66 -36.25 83.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.84 -50.45 62.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 50' ' ' LEU . 3.8 mt -58.81 -44.41 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.709 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.91 -49.54 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.08 -24.02 73.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.617 1.198 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.29 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -89.75 -16.84 29.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -40.04 -52.07 5.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.99 -35.33 3.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.0 m -56.89 -18.49 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.944 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 10.5 mt -73.16 -39.53 65.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -36.0 -40.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 t -147.19 41.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.75 172.73 46.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -89.04 168.9 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -43.41 90.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -43.96 81.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.46 -40.77 92.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.8 -47.9 83.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.488 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 1.5 t -57.06 -40.29 76.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -61.8 -47.19 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.709 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 5.6 t80 -56.17 -42.97 77.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.571 HG21 ' CE2' ' A' ' 29' ' ' TYR . 1.7 m -60.49 -42.9 97.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 61' ' ' LEU . 24.2 mm -61.06 -44.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.72 -44.49 81.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG12 ' CE2' ' A' ' 29' ' ' TYR . 2.7 t -65.17 -33.16 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 28.9 tp -66.63 -33.73 76.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 70.6 t80 -76.56 -41.34 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 2.9 p -59.85 -41.1 90.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.483 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -73.31 -47.27 47.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 5.1 m-70 -56.66 -24.83 51.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -98.34 -16.07 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 76.36 52.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 10.0 mt -106.78 120.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -41.77 135.76 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.8 171.31 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -148.36 -46.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 165.24 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 t -59.99 -36.28 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -70.07 -42.42 72.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.28 -32.03 72.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.437 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -68.85 -48.26 63.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 79' ' ' TYR . 7.2 tp -68.94 -31.73 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.09 -41.35 70.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -47.39 79.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -35.07 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 8' ' ' LEU . 2.8 t -141.35 -81.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 89' ' ' HIS . 2.7 mt -118.58 151.17 38.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -70.78 -174.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -57.94 17.2 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.05 -44.81 96.76 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -30.64 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.71 -45.07 60.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.22 -45.42 93.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -29.78 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.575 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 1.3 t-105 -65.44 -37.17 86.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.76 34.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -116.99 -8.34 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.3 mp -87.41 138.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -93.11 152.45 19.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 21.3 mt -82.93 -37.35 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -130.62 152.31 80.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -36.18 2.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.76 -4.16 52.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.04 -170.85 45.44 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -138.53 47.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 0.723 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 11.7 mtpt -119.33 144.07 47.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -134.56 164.47 27.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.554 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.3 m-85 -67.13 163.96 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.9 173.29 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.226 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.19 -22.31 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.69 -45.28 83.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -71.26 -35.62 71.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.6 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 7.1 mt -68.25 -33.65 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 ' CD1' ' A' ' 31' ' ' LEU . 9.3 t -72.06 -42.7 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.99 -49.12 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -61.74 -43.66 98.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -56.85 -42.87 80.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -63.6 -42.97 98.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 2.5 tp10 -57.71 -48.18 80.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 2.6 mm? -57.81 -51.0 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.18 -34.26 63.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -23.8 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 5.2 m-85 -85.02 -0.22 53.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 70.68 45.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.05 145.76 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.94 125.32 88.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.66 93.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -70.01 -19.75 63.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 60' ' ' ILE . 8.3 tp -83.45 -0.65 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -76.79 -4.92 45.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.6 p -114.22 150.52 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 6.7 p -57.0 -36.42 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.16 73.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.94 92.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 46.6 t -63.9 -44.97 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.1 ttt180 -61.27 -42.72 99.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.01 -47.53 82.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 20.6 mt -58.9 -44.99 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 15.4 tp -55.04 -43.57 73.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 65' ' ' GLN . . . -73.98 -23.01 77.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.27 -41.39 76.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -97.62 -10.0 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.92 -56.16 0.89 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 -32.55 5.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 64' ' ' LEU . 73.8 m -56.57 -21.43 26.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.41 -42.22 99.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -36.1 -65.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.423 ' CG2' ' OE1' ' A' ' 69' ' ' GLN . 4.7 p -117.33 37.03 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.22 171.44 54.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 171.46 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.84 -42.45 97.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.38 -44.04 79.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.31 -36.11 77.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.48 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -40.92 85.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.56 -44.46 86.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD2' HD22 ' A' ' 68' ' ' LEU . 54.7 t80 -55.79 -43.05 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.77 -43.45 88.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 ' CE2' ' A' ' 29' ' ' TYR . 5.3 m -60.69 -41.74 95.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.418 ' CG2' ' SG ' ' A' ' 57' ' ' CYS . 16.7 mm -64.27 -41.49 92.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.13 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.554 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 2.6 t -65.29 -31.05 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 4.3 tp -68.21 -31.26 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 88.4 t80 -76.53 -43.13 40.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 8.5 p -61.1 -40.62 94.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -71.98 -47.12 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 8' ' ' LEU . 24.3 m-70 -54.17 -30.95 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -90.24 -16.37 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.6 mtp180 82.73 51.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -110.24 132.06 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -56.98 142.56 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -146.03 171.27 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -46.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -59.85 -28.01 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.08 -45.04 78.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -43.49 79.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.98 74.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.203 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.95 -35.49 80.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.33 -33.69 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -70.14 -47.83 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 25.8 mm -56.97 -43.05 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HD21 ' A' ' 8' ' ' LEU . 27.2 t -128.59 -46.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -160.15 161.79 33.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -58.77 173.32 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -54.74 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.81 -46.34 18.95 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 2.5 mp0 -69.32 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.361 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -60.11 -45.1 94.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -49.94 52.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -27.12 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -79.0 -41.29 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 107.995 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 30.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 -7.0 11.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 28' ' ' GLN . 2.1 mt -87.57 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -88.47 153.47 21.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD2' ' CE1' ' A' ' 29' ' ' TYR . 55.2 mt -83.12 -40.5 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.1 mtt85 -120.14 153.99 55.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.72 2.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 3.54 27.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.86 -170.89 43.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 44.54 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -120.01 161.04 21.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 6.8 pt20 -160.08 -179.13 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 81' ' ' THR . 3.3 m-85 -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.94 177.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CD2' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -55.0 -25.87 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -45.05 93.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -70.66 -35.65 72.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.534 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 17.8 mt -66.42 -37.07 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -71.13 -39.78 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -63.86 -49.02 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 108.0 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.22 96.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 t -56.99 -47.1 81.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.97 -43.09 99.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.22 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' HD21 ' A' ' 78' ' ' LEU . 1.1 tp10 -61.0 -42.51 98.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -51.16 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.94 -34.54 63.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -26.17 39.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' A' ' 75' ' ' LEU . 3.3 m-85 -85.75 14.07 6.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.53 39.76 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -124.98 150.03 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 2.7 m-80 -84.48 137.47 39.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.5 -22.81 69.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.541 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -63.84 -13.61 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' N ' HD11 ' A' ' 50' ' ' LEU . 75.9 mt -83.48 -0.79 51.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.77 -4.86 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 p -121.49 128.89 52.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 p -56.84 -28.27 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -48.96 55.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 50' ' ' LEU . . . -61.17 -41.29 99.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.402 1.064 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.94 -43.79 94.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -61.9 -38.63 89.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.44 -39.67 92.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 50' ' ' LEU . 7.7 mt -68.25 -48.1 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.67 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.58 -43.89 76.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.33 -23.54 73.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -78.74 -22.56 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 7.9 mt -100.65 -31.63 11.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.518 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.46 -57.79 1.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -36.42 2.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -58.45 -16.11 13.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 79' ' ' TYR . 28.3 mt -63.16 -19.29 64.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -33.77 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.41 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 9.0 t -112.99 35.72 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.8 170.72 48.71 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -99.7 172.92 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.74 -42.02 98.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -44.94 76.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 9.9 tt -56.56 -43.64 80.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 3.6 mtm-85 -60.86 -50.92 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 t -55.72 -36.43 67.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 40' ' ' GLU . 1.4 tp -64.17 -47.25 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.67 ' CE2' ' CD2' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.24 -39.49 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.497 ' OD1' ' CG2' ' A' ' 97' ' ' THR . 36.8 t-20 -62.62 -48.52 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.561 HG21 ' CE2' ' A' ' 29' ' ' TYR . 7.3 m -60.88 -41.77 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.8 mm -65.1 -40.93 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . . . -56.69 -49.19 75.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.482 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 2.5 t -61.66 -38.98 81.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.569 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 14.6 tp -58.9 -45.48 90.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 24.9 t80 -61.97 -44.16 97.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -58.35 -37.72 75.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.239 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 15.2 t -69.88 -36.57 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.421 ' NE2' ' HG ' ' A' ' 85' ' ' LEU . 3.1 m-70 -72.98 -20.78 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.435 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 7.4 mm-40 -98.81 -1.85 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.12 54.1 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.483 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 3.3 mt -107.47 132.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -49.23 135.08 17.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CA ' ' HE2' ' A' ' 95' ' ' LYS . 5.4 m -148.5 155.24 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' CG ' ' OE1' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -145.36 -53.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.435 ' OD2' ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -119.97 153.95 35.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.497 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 75.0 m -59.99 -36.19 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.03 91.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.501 ' OE1' ' CG ' ' A' ' 95' ' ' LYS . 2.5 tt0 -62.66 -37.83 87.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -61.26 -49.43 77.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -34.06 75.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.56 -37.21 76.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -48.92 63.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.461 HG22 ' CD1' ' A' ' 61' ' ' LEU . 3.4 mm -57.06 -42.56 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 8' ' ' LEU . 47.2 t -122.16 -42.29 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -159.32 -176.23 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -178.51 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.75 -53.66 26.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.66 79.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.63 -40.97 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.54 -33.06 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.62 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -37.86 61.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -56.97 -39.31 74.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.19 27.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 -4.09 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.29 147.09 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 12.2 ptp180 -99.61 153.11 19.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 29' ' ' TYR . 1.5 mt -82.73 -38.75 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -112.13 153.37 44.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.95 -36.46 2.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.75 85.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 109.19 166.53 20.45 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 160.88 -60.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -164.96 177.68 7.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.31 173.27 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CD1' HD22 ' A' ' 21' ' ' LEU . 4.2 m-85 -76.42 167.09 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 pttm 179.15 -179.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -21.65 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.45 81.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 29' ' ' TYR . 7.7 m170 -71.28 -35.78 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 15.2 mt -68.03 -34.31 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -71.56 -42.44 72.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CH2' ' HG ' ' A' ' 78' ' ' LEU . 11.5 t90 -63.86 -49.15 73.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.5 89.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.4 t -57.0 -40.94 77.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -62.67 -43.23 99.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.602 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 60' ' ' ILE . 4.2 mm? -60.62 -51.13 70.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.39 -33.07 73.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -77.52 -21.26 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -84.79 -8.97 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 80.95 31.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -119.28 150.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.456 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.2 t30 -75.65 125.05 88.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -35.71 2.99 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.516 1.798 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.06 -36.07 79.76 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -67.12 -11.84 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.564 0.802 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 60' ' ' ILE . 6.6 tp -74.0 -4.63 36.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.95 -4.88 46.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 p -115.88 137.28 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -56.82 -30.86 64.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -46.76 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -59.92 -44.03 97.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 14.9 t -63.89 -41.06 97.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.98 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.73 -49.18 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 41' ' ' LEU . 8.7 mt -61.37 -45.3 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -55.78 -43.83 77.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.84 -23.77 75.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -70.65 -38.64 73.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' SER . 4.5 pp -98.22 -10.34 24.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.4 mt-30 -37.73 -52.96 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -29.5 8.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 t -57.83 -16.51 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.65 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.3 mt -71.99 -39.66 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.3 tt0 -35.74 -67.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -115.34 37.69 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.67 -174.09 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -104.59 167.77 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.86 -43.15 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -67.68 -44.28 78.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.35 -43.1 83.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -51.95 67.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -33.07 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.571 ' HG ' ' CH2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -67.71 -46.99 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 9.5 t80 -56.78 -41.79 78.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -64.47 -45.75 86.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.491 HG21 ' CE2' ' A' ' 29' ' ' TYR . 18.3 m -60.65 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.479 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 10.0 mt -62.17 -38.41 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.207 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.64 85.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 25.0 t -59.85 -39.84 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 89' ' ' HIS . 8.9 tp -58.82 -44.88 90.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' ARG . 35.4 t80 -63.15 -40.04 96.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 6.0 t -58.59 -44.29 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.371 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.564 ' CE1' ' HG ' ' A' ' 85' ' ' LEU . 2.0 m-70 -70.17 -23.77 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 68.9 mm-40 -93.56 -16.04 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 71.95 51.89 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.401 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 2.7 mt -110.08 132.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.08 132.22 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 100' ' ' ALA . 2.9 m -149.56 171.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -117.28 162.32 18.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -39.77 85.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . 21.6 tp10 -66.34 -36.04 81.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . . . -71.34 -50.07 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 79' ' ' TYR . 6.7 tp -59.36 -42.15 90.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -71.25 -31.78 67.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -49.13 70.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.1 pt -71.68 -36.56 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 52.5 t -142.75 -56.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.0 mm? -107.68 134.29 50.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.13 -166.97 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.73 -61.84 6.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.07 -39.09 46.37 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.97 -35.19 76.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 0.831 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' SER . 1.5 tp -75.79 -45.31 36.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.02 -32.88 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -83.91 -42.19 16.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.77 -25.88 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.034 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 2.4 tm-20 -89.83 32.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.71 -7.3 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.35 121.83 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -89.25 145.5 25.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.9 -37.27 40.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.364 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.86 152.07 38.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -39.35 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -14.66 75.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.23 168.48 13.76 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 27.9 tptt 160.9 -60.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -171.14 174.11 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -127.21 171.59 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.216 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 81' ' ' THR . 5.1 m-30 -59.24 156.29 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 178.99 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -18.99 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.29 69.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -71.19 -37.81 72.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.529 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 65.8 mt -65.75 -44.16 93.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.28 -37.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD21 ' A' ' 78' ' ' LEU . 29.9 t90 -63.7 -49.05 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.25 88.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -57.07 -48.07 79.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -42.94 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CA ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.18 -46.29 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -57.97 -51.08 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.237 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.51 -32.9 67.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -20.99 44.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CB ' HG13 ' A' ' 46' ' ' VAL . 2.5 m-85 -84.74 12.51 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.04 34.19 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 50' ' ' LEU . 6.9 p -125.02 150.8 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 46' ' ' VAL . 38.2 m-80 -75.17 138.09 72.16 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -33.13 4.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.3 -16.08 8.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CG2' ' A' ' 46' ' ' VAL . 69.5 mt -62.41 -35.98 80.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 41' ' ' LEU . 6.5 mt -74.46 -3.46 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.79 -4.83 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 p -144.25 142.5 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 45.8 p -56.82 -30.75 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.74 -49.15 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.2 96.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.578 1.174 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 10.9 p -63.85 -39.68 94.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 2.8 tmt_? -59.95 -42.42 94.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.68 -45.55 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 25.0 mt -58.94 -47.97 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.611 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.81 -43.96 77.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.88 77.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -40.73 67.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.34 -15.59 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -39.06 -52.56 3.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -36.38 2.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -57.74 -16.72 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.666 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -68.31 -40.36 81.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' LEU . 27.6 tp60 -36.11 -68.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -114.54 40.6 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.33 172.93 51.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -94.0 168.18 11.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.44 -43.25 88.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.78 -44.26 81.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.45 -39.84 88.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -61.95 -49.4 76.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.9 t -56.09 -37.81 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -64.14 -47.21 80.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 2.6 t80 -55.88 -43.05 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.571 HG21 ' CE2' ' A' ' 29' ' ' TYR . 3.4 m -60.63 -42.18 96.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 19.2 mm -61.59 -42.96 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 100' ' ' ALA . 3.5 t -63.47 -34.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 89' ' ' HIS . 37.5 tp -62.72 -36.47 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -74.22 -38.84 63.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.8 m -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.12 -47.09 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.547 ' CE1' HD13 ' A' ' 85' ' ' LEU . 2.7 m-70 -54.93 -25.04 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -98.14 -16.26 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 30.8 ttt180 80.17 52.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.03 132.05 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.51 127.66 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.73 171.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 99' ' ' GLU . 0.4 OUTLIER -146.04 -46.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.94 168.11 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 t -67.3 -35.22 79.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.98 77.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 10.7 tp10 -62.18 -48.05 81.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.628 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 9.6 tp -57.29 -41.12 79.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.23 -32.5 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -49.07 74.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 26.8 mt -69.51 -35.55 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' HA ' ' CB ' ' A' ' 52' ' ' GLU . 3.4 t -74.43 -64.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD12 ' CE3' ' A' ' 16' ' ' TRP . 35.0 mt -102.25 128.48 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 14.2 m -78.42 -170.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -55.0 32.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.94 -45.71 49.52 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.05 70.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.1 tp -75.21 -45.36 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.69 89.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -75.6 -37.2 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -56.99 -35.04 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -86.58 36.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -117.22 -9.5 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.4 mp -87.3 122.24 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -89.2 140.42 29.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.98 -34.04 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.72 152.04 40.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -42.61 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.56 76.4 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 123.33 168.17 12.99 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.7 tttt 160.31 -59.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.66 175.02 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -133.46 170.43 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 4.3 m-30 -55.96 144.96 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.15 179.18 7.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -19.75 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -45.82 72.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 6.5 m170 -71.28 -35.79 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.555 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 16' ' ' TRP . 21.6 mt -67.2 -41.6 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.49 -41.11 90.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.577 ' CH2' ' CD1' ' A' ' 78' ' ' LEU . 45.4 t90 -63.71 -49.17 74.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -59.36 -40.79 87.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -39.06 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -62.91 -42.98 99.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.28 -33.25 72.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -62.93 -51.27 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -33.0 74.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -29.74 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 1.3 m-30 -86.27 10.5 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.34 47.33 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.94 150.06 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.16 127.35 81.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.02 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -63.08 -37.8 95.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.65 -11.85 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 0.7 OUTLIER -85.41 -4.85 59.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 6.8 pt-20 -76.28 -4.84 44.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 p -104.27 139.33 39.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.3 -31.21 63.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -71.07 -47.67 57.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -38.91 96.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.3 t -66.33 -45.14 81.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 3.3 tmt_? -64.34 -35.91 82.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -49.0 76.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -58.99 -48.05 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.0 tp -55.89 -40.68 73.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.34 -23.92 76.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -40.98 67.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -89.9 -16.8 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.2 mt-30 -38.59 -52.73 3.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.06 -33.84 4.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 t -61.15 -14.39 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 13.6 mt -73.14 -35.2 66.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 57.1 mm-40 -37.19 -42.11 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -143.66 39.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.25 173.34 53.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.75 167.52 12.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.21 -43.14 87.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.42 -43.61 80.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.6 -39.59 88.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.48 89.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -41.26 83.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.577 ' CD1' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.6 -44.68 89.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 3.4 t80 -55.74 -43.18 76.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' ND2' HD21 ' A' ' 101' ' ' LEU . 8.3 t-20 -64.85 -43.88 91.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -60.81 -42.4 97.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -43.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' CA ' HD12 ' A' ' 61' ' ' LEU . . . -56.54 -48.28 77.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 100' ' ' ALA . 2.5 t -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.564 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 13.0 tp -63.41 -37.73 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 58' ' ' ARG . 59.4 t80 -72.49 -34.56 67.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' ILE . 71.3 m -63.46 -45.1 92.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -71.15 -47.08 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 4.0 m-70 -48.28 -43.61 32.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -86.86 -16.57 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER 76.69 63.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.2 mm -110.07 132.0 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.77 120.35 2.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 m -137.4 171.29 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.63 -46.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.01 155.54 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 t -60.64 -35.36 76.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.32 -42.19 79.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.407 HD21 ' ND2' ' A' ' 80' ' ' ASN . 7.7 tp -68.53 -38.5 80.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -71.07 -37.25 72.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -63.51 -49.05 75.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.438 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.8 -34.84 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' CG1' HD12 ' A' ' 8' ' ' LEU . 3.2 t -140.77 -79.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 85' ' ' LEU . 5.4 mp -102.24 142.95 32.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -73.36 -178.27 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.39 -58.1 16.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.64 97.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 13.4 mt -75.01 -41.77 58.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.57 -37.16 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ3' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -57.01 -30.29 64.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 107.964 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.66 29.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -5.3 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.03 138.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -85.61 151.09 24.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 33' ' ' HIS . 54.4 mt -82.25 -39.83 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -130.78 152.31 80.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.12 2.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.55 -0.42 55.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.61 -171.62 36.13 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.03 47.02 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -123.52 161.38 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.51 177.18 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 84' ' ' VAL . 3.5 m-30 -76.0 175.4 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.63 174.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -26.13 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.03 93.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' HD12 ' A' ' 21' ' ' LEU . 41.6 m80 -70.85 -35.94 72.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 27.5 mt -66.25 -35.93 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.76 -46.65 73.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' A' ' 78' ' ' LEU . 10.2 t90 -63.92 -34.86 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -53.28 39.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 p -57.03 -39.05 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -43.08 99.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 3.3 tp10 -63.23 -44.33 95.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 82' ' ' ILE . 1.3 mp -61.94 -51.0 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -55.01 -38.02 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -25.39 55.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 2.5 m-85 -85.3 -4.24 59.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 80.34 43.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 t -124.97 143.52 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -76.31 130.09 78.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.41 2.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.06 -20.57 71.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -70.57 -13.23 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 109.347 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 82' ' ' ILE . 36.0 mt -83.79 -2.59 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.92 -4.92 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 p -124.89 135.53 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 p -56.9 -30.79 64.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.39 -48.99 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.49 93.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.5 m -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 86' ' ' TYR . 16.9 tpt85 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 19.5 mt -59.51 -49.06 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.93 -49.6 73.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.88 -29.4 74.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -24.14 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 17.6 mt -88.0 -31.97 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -36.21 -53.88 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.01 -30.7 6.86 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' LEU . 67.1 m -56.27 -47.51 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -58.98 -29.27 67.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 58.9 tp60 -37.41 -40.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -146.32 31.15 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.92 52.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 p -96.38 169.58 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.29 -39.66 87.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.51 -47.04 68.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.6 tt -59.83 -39.45 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -47.64 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -47.0 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -57.94 -46.81 84.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -57.47 -42.61 82.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.473 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 88.1 m-20 -59.3 -45.62 90.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.484 HG21 ' CE2' ' A' ' 29' ' ' TYR . 2.5 m -60.72 -42.51 97.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 51' ' ' LEU . 5.0 mm -61.42 -43.34 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.89 -48.71 77.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 29' ' ' TYR . 3.8 t -59.92 -37.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD21 ' CZ3' ' A' ' 16' ' ' TRP . 1.2 tm? -59.01 -46.74 87.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 22.5 t80 -61.85 -44.29 97.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.1 m -56.92 -39.04 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 19.2 t -65.73 -42.97 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 85' ' ' LEU . 37.2 m-70 -58.95 -35.96 74.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.01 -10.64 52.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.16 62.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 mt -109.97 130.83 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.85 130.77 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -142.23 159.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -39.55 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.79 157.46 46.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.0 t -59.95 -28.04 67.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -70.0 -38.97 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.07 -45.82 72.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -62.4 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 79' ' ' TYR . 9.2 tp -68.98 -31.02 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -40.66 71.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -49.0 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.67 -34.97 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.471 ' C9 ' HG22 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.62 -61.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -119.42 51.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.85 -176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -31.34 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 HG22 ' C9 ' ' A' ' 1' ' ' MYR . 54.6 t -70.74 -59.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -138.49 147.3 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.433 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -75.18 -177.14 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.22 -55.13 31.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.87 -44.69 97.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' OE2' ' CB ' ' A' ' 9' ' ' SER . 1.2 mp0 -60.78 -32.34 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 HD21 ' CD2' ' A' ' 31' ' ' LEU . 5.8 mt -75.03 -36.93 61.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -40.5 97.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.62 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.57 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -56.96 -32.97 66.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 107.949 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.06 32.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -6.71 11.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.3 138.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -89.57 151.66 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 29' ' ' TYR . 14.7 mt -83.84 -37.98 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -128.37 152.21 77.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.78 41.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.04 -171.14 41.63 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -134.71 45.64 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -112.45 156.23 22.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 2.5 pt20 -150.1 162.3 40.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -72.88 160.63 31.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.22 173.56 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -54.99 -27.12 41.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -45.25 93.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 28' ' ' GLN . 10.8 m170 -69.64 -35.85 75.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.621 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 37.8 mt -65.64 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.51 -38.81 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CH2' HD13 ' A' ' 78' ' ' LEU . 39.4 t90 -63.83 -49.16 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 41' ' ' LEU . . . -61.1 -43.66 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.439 ' CB ' H101 ' A' ' 1' ' ' MYR . 1.5 t -59.29 -41.13 88.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -62.85 -43.09 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -68.09 -37.72 81.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -64.48 -51.05 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -34.99 75.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -24.87 56.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.01 -6.07 59.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.39 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -123.21 140.98 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 3.3 t30 -76.0 132.72 73.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -61.33 -40.77 99.09 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.03 -11.95 61.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD22 ' C11' ' A' ' 1' ' ' MYR . 1.3 tp -86.95 -0.68 56.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 9.2 pt-20 -76.51 -36.54 57.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -71.39 140.73 50.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -26.33 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.21 -48.95 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -37.17 93.82 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.49 -45.02 77.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 4.1 ttt-85 -64.84 -36.01 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -63.77 -48.52 76.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.93 -47.85 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 79' ' ' TYR . 11.8 tp -55.99 -41.88 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.34 -24.0 77.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -32.85 59.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLN . 9.9 mt -93.43 -17.81 23.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -38.75 -53.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m -57.26 -17.57 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.644 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 5.0 mt -73.02 -39.26 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.7 tt0 -38.28 -43.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -140.75 37.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 75' ' ' LEU . . . -82.03 174.89 53.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 p -90.06 166.0 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.774 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.55 -42.42 82.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -67.98 -44.45 76.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 1.4 tp -58.29 -42.21 86.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -62.98 -48.5 78.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.8 m -57.8 -37.58 74.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD13 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.01 -47.09 81.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.644 ' CD2' ' CD1' ' A' ' 68' ' ' LEU . 2.8 t80 -56.94 -42.98 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.91 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.569 HG21 ' CE2' ' A' ' 29' ' ' TYR . 17.6 m -60.98 -41.64 96.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -63.85 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 104' ' ' ILE . . . -59.01 -46.42 88.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 100' ' ' ALA . 5.1 t -60.0 -42.99 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' CD2' H142 ' A' ' 1' ' ' MYR . 23.7 tp -58.88 -44.51 91.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.491 ' CZ ' ' OE1' ' A' ' 90' ' ' GLN . 7.0 t80 -61.97 -37.94 86.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.2 -44.68 96.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.284 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -65.22 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.404 ' NE2' ' HG ' ' A' ' 85' ' ' LEU . 6.0 m-70 -66.74 -37.51 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -89.24 -5.35 57.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 73.77 54.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.46 HG22 ' CE ' ' A' ' 103' ' ' LYS . 30.3 mm -110.02 132.05 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.28 146.09 43.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -147.25 170.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -47.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.34 161.01 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 t -60.01 -31.79 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -44.98 68.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.15 -47.96 81.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -63.65 -38.79 92.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -40.66 97.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -70.95 -35.21 72.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CE ' HG22 ' A' ' 92' ' ' ILE . 8.0 tmtm? -63.15 -49.01 76.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 83' ' ' ALA . 16.4 mt -70.3 -37.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.33 -39.93 94.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -50.21 50.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.95 -52.03 65.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -51.25 67.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -53.12 -48.25 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.05 -42.89 91.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -54.94 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -49.37 -49.27 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' GLN . 44.6 tttt -55.26 -57.4 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.419 ' HA ' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -44.11 -40.22 4.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.34 90.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -64.29 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.419 ' CG ' ' HA ' ' A' ' 114' ' ' LYS . 1.9 pp0? -47.98 -39.5 19.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -48.01 -61.37 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -43.95 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.4 -55.81 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.6 m -113.15 68.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 172.34 -155.6 23.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.24 167.4 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -158.73 167.25 29.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 p -164.77 170.21 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -172.37 170.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.9 p -170.81 150.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -174.46 135.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.39 167.2 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.51 133.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.501 ' C9 ' ' OG ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.16 -59.72 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.745 . . . . 0.0 109.323 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' ALA . 5.7 ttm180 -130.99 69.04 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.87 -175.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.6 56.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 73.5 t -126.2 -81.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -121.86 172.42 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -179.68 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.82 -56.02 27.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.91 92.52 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 6.5 mt-10 -61.03 -31.68 71.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -70.35 -45.05 66.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -56.66 -50.55 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.94 -31.25 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 2.8 tt0 -91.07 27.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -119.63 -3.55 10.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 84' ' ' VAL . 3.3 mt -87.07 130.12 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -93.69 145.71 24.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 29' ' ' TYR . 8.5 mt -77.7 -48.83 15.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.11 153.19 38.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.39 0.1 81.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 97.27 167.17 32.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.09 -60.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.21 173.42 12.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 176.15 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 21' ' ' LEU . 6.5 m-85 -72.62 156.09 39.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -160.93 -176.8 5.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.74 -24.03 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.06 86.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.41 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 12.1 m170 -71.0 -36.67 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.6 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 54.3 mt -64.44 -42.61 95.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG22 ' CD1' ' A' ' 31' ' ' LEU . 5.1 t -69.52 -35.39 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CH2' HD23 ' A' ' 78' ' ' LEU . 26.0 t90 -63.99 -48.37 76.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 107.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -64.96 -41.77 95.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.501 ' OG ' ' C9 ' ' A' ' 1' ' ' MYR . 29.6 m -57.01 -46.58 82.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -39.54 87.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 60' ' ' ILE . 4.4 mm? -63.11 -51.09 67.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.68 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CB ' HG11 ' A' ' 46' ' ' VAL . 2.1 m-85 -84.85 7.28 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.5 35.53 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -122.3 150.16 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.9 125.68 87.91 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.21 2.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.07 -35.91 86.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -70.1 -12.23 61.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -77.95 -11.26 59.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 6.3 pt-20 -76.97 -4.99 46.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -113.69 140.2 48.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -57.03 -31.58 65.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -49.07 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -62.93 -39.09 97.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.01 -41.06 97.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.93 -35.95 81.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.18 -52.0 65.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' HD13 ' A' ' 41' ' ' LEU . 7.4 mt -60.4 -42.18 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -55.97 -50.08 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 -23.91 75.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -33.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.47 -19.68 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 mt-30 -38.78 -55.81 2.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.95 -40.12 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -56.95 -17.58 10.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.4 mt -72.86 -39.91 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 23.7 tt0 -37.77 -53.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -129.3 36.77 4.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.21 173.26 53.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -89.75 168.79 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.41 -42.79 92.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.201 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.16 -44.68 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.19 -42.08 90.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' CG ' HD21 ' A' ' 68' ' ' LEU . 8.6 mtt180 -61.53 -51.53 68.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -55.88 -35.41 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.559 HD23 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -65.25 -46.95 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 4.1 t80 -57.67 -42.47 83.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 82.7 m-20 -62.04 -47.02 86.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 m -60.95 -42.99 99.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.2 -40.76 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -59.83 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.495 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 6.9 t -60.83 -39.81 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 1.2 tm? -59.03 -44.98 91.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 32.1 t80 -61.98 -43.57 98.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.49 -41.83 81.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.2 -34.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 2.4 m-70 -61.05 -43.19 99.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -87.05 2.67 48.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 64.19 61.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.1 mt -110.03 121.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.82 128.47 26.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -127.81 171.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -146.27 -47.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.96 170.7 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 21' ' ' LEU . 8.9 t -68.78 -37.35 79.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.473 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -38.66 75.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -70.45 -38.91 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 1.8 tp -68.95 -39.61 79.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -37.98 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -48.92 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.436 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -69.37 -34.93 64.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -39.4 93.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.77 -53.41 21.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.08 71.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -55.18 -50.55 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -53.21 -48.59 68.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.399 1.062 . . . . 0.0 109.268 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -59.1 -42.97 91.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -57.45 -56.51 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.81 -51.69 48.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -51.64 -52.74 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -51.52 -51.48 54.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.06 -49.33 42.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -51.31 70.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -42.83 18.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.322 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.6 -49.78 44.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.93 -47.56 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.67 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -41.43 -49.24 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 44.7 p 46.11 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -100.18 151.02 19.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.46 165.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.59 158.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.9 p 177.75 142.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -165.49 113.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.25 156.82 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.1 t -177.07 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.51 149.57 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 174.68 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.478 ' C11' ' HB2' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.38 71.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.6 154.91 36.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.55 -176.56 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.65 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 85' ' ' LEU . 44.0 t -66.34 -54.34 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.424 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -130.68 149.86 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -174.9 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.85 -55.68 27.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -45.12 96.73 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.67 -30.85 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -73.7 -41.55 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -46.16 86.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -43.24 65.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 1.1 t-105 -56.96 -27.47 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.88 22.72 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -2.47 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 HD12 ' CG1' ' A' ' 84' ' ' VAL . 4.2 mt -87.47 126.58 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -93.64 136.54 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -67.64 -40.76 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.03 151.54 44.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.22 2.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 -12.9 51.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.51 -172.33 47.7 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.23 50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.6 100.43 10.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -87.7 135.41 33.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CE1' HD21 ' A' ' 21' ' ' LEU . 9.6 m-85 -57.52 160.77 3.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 -177.08 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -59.3 -18.8 40.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -68.88 -45.56 70.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 21' ' ' LEU . 15.5 m170 -71.15 -38.3 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.618 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 31.6 mt -66.97 -39.04 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 31' ' ' LEU . 3.3 t -65.95 -42.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.51 ' CZ3' HD23 ' A' ' 78' ' ' LEU . 43.7 t90 -63.74 -49.13 74.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' CB ' H131 ' A' ' 1' ' ' MYR . . . -58.96 -40.53 85.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.478 ' HB2' ' C11' ' A' ' 1' ' ' MYR . 5.4 t -63.15 -39.46 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.922 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -43.11 99.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.49 -47.12 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -57.87 -47.19 83.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.87 -32.89 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -76.72 -19.94 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.2 m-85 -84.59 -8.42 58.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.54 38.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.13 147.77 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.95 129.91 79.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -60.88 -41.96 99.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.64 -11.91 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -85.25 -0.82 55.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 9.7 pt-20 -76.63 -20.41 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -89.12 145.58 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 p -56.73 -31.4 64.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -49.09 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.84 92.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -41.5 97.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -37.38 82.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.49 65.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 41' ' ' LEU . 3.5 mt -58.9 -46.28 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 1.2 mt -55.9 -43.01 76.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.16 -23.94 77.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.5 -41.07 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.05 -16.57 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.2 mt-30 -38.72 -55.36 2.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 -39.7 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 m -56.95 -17.55 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.65 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 13.3 mt -73.08 -39.95 65.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -36.9 -40.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -145.89 39.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.08 172.65 54.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 p -87.04 171.15 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.03 -44.41 97.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 14.1 pt-20 -67.62 -41.59 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 5.2 tt -62.26 -41.97 98.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -61.33 -48.84 79.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -40.69 79.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD23 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.19 -47.25 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.694 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 5.0 t80 -57.5 -43.15 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 78.3 m-20 -60.23 -43.06 96.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -60.81 -42.14 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.456 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 31.9 mm -60.0 -45.41 95.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -57.06 -47.66 80.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 19' ' ' ILE . 41.9 t -59.89 -43.13 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 7' ' ' VAL . 45.7 tp -59.57 -44.51 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' ' 104' ' ' ILE . 6.6 t80 -61.91 -36.39 81.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.431 ' CB ' HG12 ' A' ' 94' ' ' VAL . 64.1 m -64.29 -43.81 93.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -66.13 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 52' ' ' GLU . 17.7 m-70 -62.41 -50.2 72.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.06 5.89 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.63 51.85 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.2 mt -89.66 129.65 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.45 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.431 HG12 ' CB ' ' A' ' 87' ' ' CYS . 1.6 m -122.38 171.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -174.06 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.39 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -134.46 159.99 39.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.2 m -69.74 -28.05 65.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 110.429 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -44.98 68.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.499 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 16.8 mm-40 -66.62 -47.78 71.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.65 74.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 79' ' ' TYR . 6.9 mt -66.65 -31.19 71.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -66.9 -41.41 87.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -65.93 -49.04 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 86' ' ' TYR . 49.7 mm -61.83 -35.85 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.86 -30.1 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -46.15 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -50.39 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -37.66 69.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -70.07 -45.0 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -40.31 84.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -56.19 19.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -51.74 -52.94 44.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -50.83 -51.82 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -51.57 -52.82 44.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.63 -52.89 44.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -50.32 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.62 -51.85 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.52 -57.07 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ALA . . . -40.54 -51.25 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.74 -58.15 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -40.5 -59.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.7 p -62.43 -55.95 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.24 162.96 38.96 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -163.41 166.97 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -168.5 167.43 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.47 170.17 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.072 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -143.18 133.67 24.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.7 p -163.6 155.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -165.78 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? 43.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.117 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.21 167.69 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 50.6 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.471 ' C10' HG21 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.25 73.29 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 0.721 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 169.82 101.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.88 152.73 18.74 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -111.9 -21.78 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 51' ' ' LEU . 1.9 t -74.21 -62.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.499 HD11 ' CE1' ' A' ' 89' ' ' HIS . 6.4 mp -112.24 152.57 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -176.81 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.04 25.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.55 -43.49 98.94 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -31.93 71.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -38.23 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.21 -35.32 79.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -83.05 -38.78 22.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -62.75 -30.4 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.62 23.95 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 0.08 9.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 HG12 ' CG2' ' A' ' 94' ' ' VAL . 2.2 mp -87.34 133.42 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 80.6 mtt-85 -85.62 148.57 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 29' ' ' TYR . 95.0 mt -76.06 -44.37 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.95 153.0 80.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.178 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.98 2.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.45 12.17 64.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.43 -170.89 17.62 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -138.15 47.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.3 tttt -123.73 159.55 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -144.62 175.87 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CD1' HD22 ' A' ' 21' ' ' LEU . 13.0 m-85 -86.61 163.01 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.44 -177.62 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -25.57 53.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.17 93.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.416 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 8.2 m170 -71.26 -35.55 71.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.6 mm -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.96 -34.99 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CH2' HD21 ' A' ' 78' ' ' LEU . 38.6 t90 -63.91 -49.03 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' CB ' H131 ' A' ' 1' ' ' MYR . . . -67.12 -40.29 86.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' C10' ' A' ' 1' ' ' MYR . 51.8 p -56.91 -48.14 78.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -43.09 98.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.8 -38.05 86.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -64.96 -51.12 63.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -58.57 -32.9 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.09 -26.27 42.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -84.99 -0.54 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 76.99 42.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 60' ' ' ILE . 2.1 t -124.99 139.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -75.95 131.97 75.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.11 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.87 99.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.04 -11.91 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 7' ' ' VAL . 11.5 tp -77.13 -10.34 59.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 7.3 pt-20 -76.88 -4.96 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -108.52 130.09 55.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -56.73 -27.58 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -49.07 48.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -62.5 -39.25 97.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.03 -39.06 83.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -68.13 -35.98 78.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -52.09 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 46' ' ' VAL . 22.7 mt -61.24 -49.64 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.649 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.72 -49.38 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.49 -23.94 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.47 -36.4 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 44' ' ' PHE . 1.3 mt -88.83 -16.16 32.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.51 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -41.56 -54.16 6.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -24.91 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -60.98 -19.61 61.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.072 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.669 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 1.4 mp -73.01 -32.82 65.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 11.2 tt0 -37.7 -40.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -144.46 39.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 175.21 39.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -88.36 166.75 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.82 -42.99 85.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -44.1 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' CD2' ' C ' ' A' ' 75' ' ' LEU . 3.1 tt -59.88 -40.38 88.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -63.43 -48.78 76.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.7 t -57.48 -40.01 77.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -61.83 -47.08 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 3.7 t80 -57.02 -43.02 81.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.25 -44.32 97.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 m -61.02 -44.37 97.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.87 -43.91 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' O ' ' SG ' ' A' ' 87' ' ' CYS . . . -56.92 -48.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 2.9 t -59.92 -34.89 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.573 HD21 ' CZ3' ' A' ' 16' ' ' TRP . 1.9 tm? -64.29 -44.02 92.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' A' ' 104' ' ' ILE . 19.8 t80 -61.9 -42.26 98.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 83' ' ' ALA . 6.5 m -63.35 -39.52 94.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 62.1 t -62.95 -38.52 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CE1' HD11 ' A' ' 8' ' ' LEU . 3.0 m-70 -74.81 -24.73 58.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CD ' ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mt-30 -88.67 -8.16 55.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.76 65.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.517 ' CG2' ' CG1' ' A' ' 94' ' ' VAL . 16.2 mm -110.07 132.18 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.34 84.67 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.517 ' CG1' ' CG2' ' A' ' 92' ' ' ILE . 4.0 m -112.25 156.91 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.42 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.33 -0.88 8.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER -159.21 140.21 12.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -59.96 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -44.08 93.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.489 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 12.3 mt-10 -68.11 -43.71 77.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.19 -47.91 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.05 -30.86 69.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.98 -40.31 87.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -70.01 -49.03 55.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.49 -34.94 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.76 -39.9 72.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -54.89 41.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -46.01 90.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -54.98 -49.54 71.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -47.16 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.93 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 m -57.24 -56.27 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.15 47.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -51.2 -52.15 47.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -52.05 -53.24 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.11 -47.87 61.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -52.44 58.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -59.38 -39.03 82.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -53.61 53.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.89 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -49.38 -58.57 4.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.94 -19.71 60.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 123' ' ' GLY . 1.1 t 40.91 -162.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 122' ' ' THR . . . 131.67 58.98 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 174.58 159.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 0.807 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -176.95 162.16 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.8 -58.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 50.58 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 173.4 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.01 143.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.38 74.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.1 m120 55.77 167.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.242 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 40.3 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.53 ' C8 ' ' CG2' ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.66 173.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.99 111.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.73 -176.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.84 50.59 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG2' ' C8 ' ' A' ' 1' ' ' MYR . 22.7 t -126.41 -68.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -133.54 179.54 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -179.61 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.98 -56.1 26.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -44.85 93.35 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 34.3 mm-40 -61.0 -33.77 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -44.94 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.98 -35.86 73.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.36 -37.33 44.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -61.29 -29.18 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.72 31.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -6.65 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.06 126.44 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -80.72 151.98 28.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 -44.22 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -102.52 153.72 37.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.1 -36.28 2.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -6.05 88.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.42 167.49 21.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.16 -60.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.28 -176.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -129.67 172.93 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 5.7 m-30 -59.41 178.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.35 175.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -56.28 -18.91 11.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.18 -45.07 67.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -71.0 -36.87 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.556 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 14.3 mt -69.26 -37.75 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 31' ' ' LEU . 12.1 t -67.64 -40.46 84.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 4.1 t90 -63.95 -48.98 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.29 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -43.02 99.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' CG ' HD12 ' A' ' 78' ' ' LEU . 2.0 tp10 -58.44 -47.13 84.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 60' ' ' ILE . 3.8 mm? -57.94 -50.39 73.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -32.9 67.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -23.28 43.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.472 ' CB ' HG11 ' A' ' 46' ' ' VAL . 3.2 m-85 -85.04 12.91 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 59.18 34.06 23.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -125.0 150.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -75.92 126.11 87.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -36.26 2.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.24 -24.24 58.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CA ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -65.38 -11.96 47.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' C11' ' A' ' 1' ' ' MYR . 13.2 mt -77.23 -0.89 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.74 -4.92 45.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -124.16 138.67 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' OE1' ' A' ' 90' ' ' GLN . 6.5 p -56.78 -32.72 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -72.62 -37.43 68.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' CA ' ' CD1' ' A' ' 50' ' ' LEU . . . -63.48 -46.88 91.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.584 1.177 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 54' ' ' SER . 30.9 p -68.83 -37.88 79.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -64.11 -38.35 90.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -47.45 69.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.205 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 41' ' ' LEU . 41.7 mt -60.72 -50.18 81.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' CG2' ' A' ' 82' ' ' ILE . 2.9 tp -58.05 -36.26 72.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.34 -23.93 72.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.82 -41.18 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.71 -13.8 31.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -40.17 -51.88 5.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -28.58 9.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -62.83 -12.98 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 3.9 mt -69.12 -33.51 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.4 tt0 -36.75 -65.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -116.8 38.41 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.3 54.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.0 p -94.11 167.4 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 0.733 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.14 -43.06 87.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -44.51 79.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.61 -40.69 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -61.78 -50.51 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -55.12 -33.93 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.007 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 ' CZ2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -68.34 -46.87 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.58 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 5.7 t80 -55.82 -42.82 76.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.524 ' ND2' ' CD1' ' A' ' 101' ' ' LEU . 37.8 t-20 -66.21 -43.02 87.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.481 HG21 ' CE2' ' A' ' 29' ' ' TYR . 58.5 m -60.96 -41.6 96.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 61' ' ' LEU . 74.7 mt -65.15 -40.51 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.5 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 2.9 t -61.01 -40.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.557 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 6.4 tp -59.01 -44.58 91.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' NE2' ' A' ' 90' ' ' GLN . 20.5 t80 -61.99 -42.98 99.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -41.9 85.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 9.3 t -63.13 -42.13 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.557 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 88.4 m-70 -60.76 -35.21 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.541 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -86.98 2.93 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 64.02 52.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 9.2 mt -110.09 131.98 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 171.25 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.354 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -146.39 -47.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -141.4 157.48 45.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.451 ' CG2' ' OH ' ' A' ' 29' ' ' TYR . 2.3 p -59.89 -37.58 79.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.82 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -68.03 -38.6 82.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -69.72 -37.83 76.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 79' ' ' TYR . 4.3 mt -68.9 -41.45 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.03 -32.26 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.92 -49.05 66.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.426 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -70.28 -34.97 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -40.05 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.86 -51.11 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -42.22 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -67.01 -45.97 75.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -53.03 -53.02 56.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -36.5 83.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -56.45 -57.32 12.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.13 -50.9 68.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.99 -49.26 41.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.42 -48.55 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.36 46.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -48.42 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.62 -45.54 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.89 -51.36 48.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.7 -20.81 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.73 -58.34 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 122' ' ' THR . 2.7 m-20 -159.21 71.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 121' ' ' ASP . 2.4 m -38.52 -60.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.08 -124.87 2.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 179.29 149.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 0.809 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.01 150.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 m -169.29 163.02 10.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.09 144.16 44.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.9 p -173.37 -50.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -45.7 137.93 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.88 106.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -110.23 165.72 11.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.472 ' C14' HD12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.44 -63.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.02 113.4 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 174.65 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.93 51.03 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.977 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.89 -78.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -132.44 174.07 10.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -77.64 -179.45 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.74 -55.91 27.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.66 85.19 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 9.4 mm-40 -61.41 -37.6 84.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -44.96 74.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -56.27 -43.28 78.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -70.95 -40.56 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -57.07 -30.84 64.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tt0 -90.81 30.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 -3.63 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.517 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 3.1 mp -87.11 137.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -103.92 145.57 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -80.27 -39.09 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -99.12 151.96 37.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -40.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.8 -9.86 80.16 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 115.28 168.99 15.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.73 -60.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -168.52 158.62 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -116.78 170.21 8.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 36.5 m-85 -63.42 169.81 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -179.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.22 -21.87 25.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -67.09 -45.25 77.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 7.9 m170 -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 3.0 mm -66.08 -42.42 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 31' ' ' LEU . 10.6 t -67.56 -37.94 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CZ3' HD21 ' A' ' 78' ' ' LEU . 40.1 t90 -63.86 -49.13 73.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' CB ' H143 ' A' ' 1' ' ' MYR . . . -59.17 -36.09 74.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -41.9 95.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 5.2 tp10 -68.34 -38.57 81.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 46' ' ' VAL . 3.6 mm? -57.94 -50.09 74.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -69.64 -21.41 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 2.2 m-85 -84.78 12.65 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.33 32.16 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 41' ' ' LEU . 8.5 p -124.96 150.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' O ' HD11 ' A' ' 50' ' ' LEU . 6.0 m-20 -75.57 138.02 70.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.5 90.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.48 -15.14 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.751 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD22 ' C11' ' A' ' 1' ' ' MYR . 0.1 OUTLIER -90.44 -0.51 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.37 -4.82 44.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -112.04 143.5 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -33.3 66.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -41.94 72.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.05 -39.81 88.73 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -64.0 -45.03 90.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.6 ttp180 -67.69 -35.96 79.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.3 -51.21 68.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 41' ' ' LEU . 25.8 mt -59.03 -50.13 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.557 HD13 ' CD1' ' A' ' 79' ' ' TYR . 5.1 tp -56.03 -37.33 69.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.37 -23.74 72.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -73.78 -41.1 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 79' ' ' TYR . 1.6 pp -94.66 -10.92 30.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -38.35 -52.73 3.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -57.08 -17.36 10.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 79' ' ' TYR . 41.7 mt -65.43 -41.7 93.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -36.81 -68.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 t -112.61 36.84 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.25 -176.86 51.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -100.91 166.68 10.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 110.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.3 -42.9 78.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.87 -44.5 76.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.95 -44.01 82.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -60.99 -51.69 68.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.419 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 4.3 t -55.28 -34.12 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD21 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 101' ' ' LEU . 2.1 t80 -56.96 -43.01 81.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.492 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 3.4 m-80 -63.77 -43.9 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -60.79 -46.76 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.484 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 61' ' ' LEU . 73.9 mt -60.1 -41.42 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.17 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 5.5 t -62.4 -40.85 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD22 ' CZ3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -58.97 -43.92 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.382 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.617 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 70.0 t80 -61.84 -45.09 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 m -56.97 -41.25 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 11.0 t -66.08 -36.96 78.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 4.8 m-70 -62.0 -39.4 92.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.44 ' CB ' HD11 ' A' ' 92' ' ' ILE . 7.0 mt-30 -86.95 -4.99 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.48 56.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -109.97 127.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.04 132.77 54.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.16 157.99 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -130.51 -46.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.04 160.73 39.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.0 t -59.99 -45.37 92.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -40.54 94.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.95 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.87 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 79' ' ' TYR . 13.1 mt -68.97 -48.75 62.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -67.54 -33.04 74.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.03 73.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -34.91 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -39.96 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -69.03 -49.55 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.98 -50.7 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -56.72 -50.93 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.03 -48.23 67.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -42.97 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.0 t -57.22 -56.27 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.38 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.08 -52.03 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -51.61 -52.55 46.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.26 -52.39 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.62 -51.69 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -50.83 -41.85 57.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 122' ' ' THR . . . -63.16 -65.76 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -46.7 -25.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 118' ' ' ALA . . . -68.6 -67.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 122' ' ' THR . 10.6 t0 -140.37 65.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 169.38 168.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 122' ' ' THR . . . -104.45 -158.87 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.143 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -147.81 -51.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 0.768 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 174.85 165.31 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.74 88.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.07 154.9 41.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -165.13 147.53 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 32.4 t -123.5 113.45 18.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.63 170.36 8.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -166.8 158.53 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.47 H101 ' CB ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.03 108.3 5.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.1 151.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.236 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.74 152.83 20.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -104.99 -32.55 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.454 ' CG2' ' H82' ' A' ' 1' ' ' MYR . 2.4 t -94.23 -74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tp -68.52 117.64 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.602 1.189 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -82.56 -175.66 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.17 -62.49 5.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.74 -42.33 87.28 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' SER . 9.0 tp -75.24 -44.02 48.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.69 -43.24 38.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 19.7 t-105 -57.13 -22.85 43.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -90.96 11.26 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -130.25 6.84 4.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' GLN . 92.6 mt -87.37 134.5 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -96.83 156.49 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -95.29 -31.54 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -113.23 152.44 45.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.61 2.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.63 -11.16 68.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 116.8 167.67 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 22.8 tttt 160.75 -60.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -169.66 179.44 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 3.8 pm0 -129.22 178.79 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CD1' HD22 ' A' ' 21' ' ' LEU . 24.5 m-85 -87.46 151.0 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.58 -177.8 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.33 -19.0 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -45.57 69.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 8.2 m170 -71.45 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.519 HD13 ' CE2' ' A' ' 16' ' ' TRP . 3.2 mm -67.48 -42.23 86.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 31' ' ' LEU . 24.9 t -65.69 -40.34 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CZ2' HD13 ' A' ' 78' ' ' LEU . 46.8 t90 -63.91 -49.17 73.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.453 ' CB ' H131 ' A' ' 1' ' ' MYR . . . -60.91 -36.93 80.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.47 ' CB ' H101 ' A' ' 1' ' ' MYR . 23.1 t -66.3 -40.12 89.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CG ' HD12 ' A' ' 78' ' ' LEU . 3.7 tp10 -66.54 -39.72 88.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 3.1 mm? -57.92 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -33.47 76.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -23.92 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.439 ' CB ' HG13 ' A' ' 46' ' ' VAL . 2.2 m-85 -85.02 12.2 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 68.14 9.58 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 12.0 p -107.76 150.17 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.67 129.92 80.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.25 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.97 -21.61 53.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -65.33 -12.01 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 60' ' ' ILE . 46.6 mt -77.97 -0.45 27.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 6' ' ' SER . 10.4 pt-20 -76.25 -4.73 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -122.34 131.54 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -56.58 -30.3 63.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.61 -49.05 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.38 95.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 13.1 p -64.27 -40.08 95.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -59.91 -38.98 83.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.65 -47.74 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.199 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 50' ' ' LEU . 74.3 mt -58.99 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.696 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.03 -44.14 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.54 -23.8 77.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -41.04 68.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 64' ' ' LEU . 6.1 mt -90.01 -14.92 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -40.26 -52.04 5.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.0 -33.7 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 p -56.9 -17.37 9.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 65.7 mt -67.09 -41.87 85.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.0 mm-40 -35.33 -67.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -116.6 40.01 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.67 172.34 46.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.08 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 p -93.19 168.76 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.77 -42.97 90.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.85 -44.56 80.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.52 -40.51 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.38 -51.52 68.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -55.76 -35.97 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD13 ' CZ2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -64.41 -47.3 79.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.696 ' CD2' ' CD2' ' A' ' 61' ' ' LEU . 2.5 t80 -57.27 -42.27 81.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 4.6 m-80 -62.9 -43.35 99.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -60.72 -41.46 95.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.434 HG23 ' CB ' ' A' ' 61' ' ' LEU . 49.2 mt -63.34 -43.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -59.35 -39.05 81.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 38.3 t -67.27 -40.84 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 89' ' ' HIS . 1.1 tm? -62.81 -32.85 74.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -71.73 -45.11 62.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.443 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 5.4 p -63.26 -30.96 72.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 59.9 t -71.81 -43.98 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CD2' HD12 ' A' ' 85' ' ' LEU . 2.1 m-70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.3 mm-40 -87.03 -15.99 37.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 69.5 52.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.7 mt -95.36 122.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.62 101.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 20.0 m -149.64 157.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 23.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -161.34 137.36 8.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.5 t -59.9 -41.9 92.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -45.04 92.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -65.65 -32.13 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.365 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.27 81.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 79' ' ' TYR . 13.9 mt -64.6 -39.38 93.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.02 -38.18 90.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -49.0 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 25.6 mt -61.41 -39.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.86 -39.47 94.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.25 -54.98 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.02 -51.86 66.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -50.57 68.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -53.09 -48.74 67.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -42.89 91.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -56.24 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -52.23 46.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -51.13 -52.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -51.88 -48.27 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.89 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -58.03 -47.36 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.395 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -48.92 -45.92 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -69.2 -48.92 60.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -45.08 -43.6 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.55 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ALA . 33.8 t70 -64.35 -24.91 67.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p 38.61 -155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.69 84.73 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -146.55 162.01 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -107.0 167.7 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.625 1.203 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.97 166.81 15.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -125.41 73.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.9 t -45.53 143.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -123.79 157.83 33.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -175.53 119.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.54 134.13 55.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.484 ' C8 ' HG22 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.15 65.48 6.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.21 101.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.84 164.05 10.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.63 53.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.484 HG22 ' C8 ' ' A' ' 1' ' ' MYR . 2.4 t -150.38 -79.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 85' ' ' LEU . 5.3 mt -102.07 140.38 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -74.51 -176.9 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.65 -57.21 20.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.98 97.21 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.75 -31.02 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.352 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' CD2' ' A' ' 31' ' ' LEU . 6.4 mt -72.05 -45.02 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.78 -41.58 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.647 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.8 -32.78 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 108.07 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.6 tt0 -90.14 33.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.69 -6.71 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.47 HD12 ' CG1' ' A' ' 84' ' ' VAL . 1.8 mt -87.96 139.83 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 3.2 ptp180 -94.54 149.91 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.266 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 27' ' ' LYS . 2.5 mt -77.57 -44.58 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -118.36 155.61 51.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -35.44 3.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 0.42 30.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.52 -169.97 46.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.28 47.52 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 10.1 mttt -123.12 149.06 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.211 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.24 167.25 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.3 m-85 -70.74 161.38 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -170.05 174.62 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.419 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -58.14 -22.44 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.37 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 7.2 m170 -71.22 -35.93 71.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 11.2 mt -66.76 -38.74 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.0 t -69.27 -39.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 2.9 t90 -63.75 -49.22 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.05 80.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' CB ' H102 ' A' ' 1' ' ' MYR . 8.6 t -60.92 -45.69 93.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.11 99.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 44' ' ' PHE . 3.9 tp10 -57.1 -47.87 80.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 60' ' ' ILE . 2.7 mp -57.95 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.2 -33.03 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -80.01 -21.22 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -84.63 -8.99 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 81.64 41.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 5.0 p -125.0 147.6 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.456 ' CB ' HD22 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.85 128.78 82.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.91 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.54 -38.37 94.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -67.96 -16.25 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.2 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' CD2' ' CD2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.67 -9.09 52.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.91 -4.91 46.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -112.53 133.86 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -29.18 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.44 -46.94 65.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -60.98 -42.46 99.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.5 t -63.85 -43.43 96.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.33 -39.14 86.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -46.02 86.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 41' ' ' LEU . 11.4 mt -58.95 -50.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.9 -36.05 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -26.17 71.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.04 -38.13 61.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 10.3 mt -88.94 -16.88 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -52.88 2.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -59.68 -25.87 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.47 -34.58 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.1 tt0 -36.29 -68.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -113.73 44.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.73 172.38 51.86 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.7 p -94.07 169.28 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -59.28 -43.02 92.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -44.36 78.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.3 tt -61.4 -35.0 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -51.66 57.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -38.46 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.561 HD11 ' CZ2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -65.13 -45.79 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 68' ' ' LEU . 78.1 t80 -55.98 -43.09 77.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' HD13 ' A' ' 101' ' ' LEU . 1.6 m120 -65.1 -42.1 94.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.416 HG21 ' CE2' ' A' ' 29' ' ' TYR . 94.3 m -62.56 -41.87 99.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.84 -47.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' HD11 ' A' ' 104' ' ' ILE . . . -56.93 -43.61 81.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.565 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 2.4 t -59.97 -41.54 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.542 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 5.5 tp -58.93 -46.05 88.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -61.99 -36.88 82.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.4 m -63.38 -41.54 98.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.99 -33.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.542 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 45.1 m-70 -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 22.6 tp60 -88.93 -15.93 33.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.9 52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -109.19 131.95 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.4 125.72 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 19' ' ' ILE . 1.4 m -123.42 171.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -146.03 -61.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.24 161.77 23.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 m -59.96 -37.01 78.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.15 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.404 ' CD ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -65.91 -32.02 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -65.33 -50.1 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 HD13 ' ND2' ' A' ' 80' ' ' ASN . 1.5 mt -69.03 -30.99 69.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -68.44 -41.23 80.6 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.06 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.463 HD11 ' CB ' ' A' ' 83' ' ' ALA . 20.2 mt -63.74 -35.18 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -53.55 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.91 -51.09 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -49.94 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.1 -49.03 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.195 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -42.84 91.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -56.14 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.062 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -51.27 -52.25 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -51.08 -51.97 48.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -51.66 -52.92 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.36 46.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -50.95 61.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -50.8 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.52 -58.34 8.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.48 -60.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.58 26.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.55 -63.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.1 t -77.5 169.26 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.78 147.8 1.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -170.84 167.6 7.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -177.15 166.0 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.59 170.45 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -149.53 171.38 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.23 168.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.6 p -136.95 170.55 15.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.83 171.31 14.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -179.52 165.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.237 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.563 H141 ' CH2' ' A' ' 16' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.03 72.95 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 0.704 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.01 165.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 164.68 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -147.81 59.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 8' ' ' LEU . 3.2 t -134.41 -75.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -132.35 179.08 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -86.5 -179.3 6.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.63 -55.98 27.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.25 88.8 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 47.0 mt-10 -61.01 -31.59 71.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -45.04 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -28.58 64.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -69.09 -33.2 73.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.028 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -90.76 31.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -118.1 -5.81 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.224 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.16 125.81 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.22 146.86 26.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.6 -40.35 49.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -107.96 152.97 41.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.05 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.01 -6.43 88.91 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.99 167.04 21.48 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.04 -60.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 179.69 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.0 169.92 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CE2' HG13 ' A' ' 84' ' ' VAL . 3.3 m-85 -60.78 167.17 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 176.08 5.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -25.47 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -45.21 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -71.05 -35.96 72.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.631 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 15.1 mt -62.85 -44.67 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.17 -30.86 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' CH2' ' HB3' ' A' ' 77' ' ' SER . 59.5 t90 -65.64 -45.67 82.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 41' ' ' LEU . . . -68.58 -49.27 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -56.95 -35.12 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -70.59 -43.04 70.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 2.5 tp10 -60.64 -50.18 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 60' ' ' ILE . 3.4 mp -58.09 -51.13 70.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -56.07 -33.03 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -23.85 42.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 3.2 m-85 -84.93 11.73 8.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.18 14.88 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.62 150.08 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.437 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 1.8 m-80 -76.06 137.67 68.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -65.8 -25.68 71.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.64 -15.48 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 57' ' ' CYS . 25.9 tp -92.65 -0.9 57.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 6.2 pt-20 -76.93 -4.89 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -115.61 139.0 50.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -56.93 -31.69 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.38 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.078 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.18 -35.35 91.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 45.2 t -66.5 -45.05 80.85 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.3 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.17 -48.61 81.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 3.4 mt -58.9 -44.87 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.692 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.84 -44.64 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.2 -22.73 78.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.37 -41.24 76.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.541 ' CD1' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.99 -11.83 25.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -36.93 -55.74 1.55 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.12 -34.05 4.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.475 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 3.4 t -56.85 -17.43 9.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.65 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.1 -40.45 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.2 mm-40 -38.15 -42.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -141.81 34.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.475 ' CA ' ' O ' ' A' ' 67' ' ' SER . . . -78.19 172.77 55.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -88.84 170.42 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.67 94.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -44.7 75.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 1.1 tt -59.59 -42.15 91.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -60.93 -50.97 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.406 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -55.13 -34.31 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -66.9 -47.38 71.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.692 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 10.0 t80 -56.75 -41.06 76.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -65.28 -44.86 86.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -60.86 -42.34 97.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 19.5 mm -61.32 -44.02 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.93 -48.43 78.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.411 1.07 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.532 HG13 ' CE2' ' A' ' 29' ' ' TYR . 3.2 t -62.82 -38.12 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 61.7 tp -59.99 -49.99 75.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.04 -34.95 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 25.9 t -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.95 -35.5 75.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.522 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 76.2 m-70 -67.77 -29.91 69.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 5.1 mm-40 -90.08 -16.18 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 67.22 51.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 7.7 mt -109.39 132.07 58.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.78 138.76 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -149.62 171.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -47.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -134.02 173.72 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 6.0 t -65.83 -44.2 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -45.02 96.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.23 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.0 -44.85 91.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.72 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.56 HD23 ' CE2' ' A' ' 79' ' ' TYR . 6.9 mt -58.02 -42.22 84.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -31.94 73.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -32.81 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.6 mt -75.09 -37.83 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.64 64.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -69.32 -36.94 77.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 1.4 tt0 -69.09 -48.06 63.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.58 -46.55 89.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -51.99 66.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.04 86.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.8 t -55.31 -55.65 29.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -52.01 -52.44 50.75 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -50.4 -50.3 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -52.83 -54.26 36.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.24 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -41.7 59.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -64.35 -65.26 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.63 -23.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.63 -37.06 31.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 117' ' ' GLN . . . -77.31 -15.68 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.66 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.7 t 38.74 51.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.64 -129.68 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -167.66 167.58 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -117.5 167.17 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.07 170.36 16.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.76 122.67 4.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t -113.02 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 170.36 9.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.133 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -147.85 171.38 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 63.63 148.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 29.6 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.487 ' C12' HD12 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.91 -58.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -73.12 126.69 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.56 173.81 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -147.05 26.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.466 ' CG2' ' H91' ' A' ' 1' ' ' MYR . 2.2 t -104.57 -69.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -129.24 -176.07 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.63 -177.8 5.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -59.12 11.38 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.501 1.125 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.5 -48.44 55.13 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 5.4 mt-10 -60.79 -30.92 70.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.23 -45.14 74.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.221 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -68.94 -30.36 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -69.6 -28.16 65.7 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 30' ' ' LYS . 3.8 mt-10 -90.1 31.0 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -4.89 10.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.23 121.14 37.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -84.63 140.2 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD11 ' NZ ' ' A' ' 26' ' ' LYS . 14.2 mt -69.93 -43.71 71.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CD ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -95.46 153.42 39.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.754 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 -16.24 66.41 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.72 168.47 13.62 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' CE ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 161.45 -60.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -168.19 169.46 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.79 164.2 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CE2' HG21 ' A' ' 81' ' ' THR . 4.9 m-30 -51.03 177.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -179.17 174.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -19.84 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -45.19 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -71.21 -35.85 71.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.556 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 9.4 mt -66.76 -36.81 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.7 -38.91 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.526 ' CZ3' HD23 ' A' ' 78' ' ' LEU . 24.0 t90 -65.18 -45.37 85.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 107.952 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' H143 ' A' ' 1' ' ' MYR . . . -57.85 -50.43 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.445 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 12.0 p -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -42.99 99.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 13.0 tp10 -66.59 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -63.34 -51.05 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -32.96 74.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -22.99 58.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -84.83 -4.22 58.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 81.73 18.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 41' ' ' LEU . 8.6 p -111.57 150.06 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.505 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 12.3 m-20 -76.23 137.63 68.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' HB2' ' C7 ' ' A' ' 1' ' ' MYR . 18.4 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -36.84 90.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.554 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.3 -11.75 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD12 ' C12' ' A' ' 1' ' ' MYR . 0.3 OUTLIER -90.16 -0.71 57.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.2 pt-20 -78.5 -4.84 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.4 p -115.12 139.33 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -32.4 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.5 74.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.29 95.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 49.3 t -64.02 -45.13 90.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 1.7 tmt_? -61.4 -37.35 83.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -46.73 85.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 41' ' ' LEU . 1.4 mt -58.83 -49.03 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 79' ' ' TYR . 13.2 tp -55.97 -40.14 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.77 -27.1 72.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -37.5 67.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' GLN . 12.2 mt -88.75 -17.11 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -38.05 -53.47 2.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.95 -37.9 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -56.89 -17.63 10.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 79' ' ' TYR . 81.6 mt -63.5 -42.21 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -36.5 -68.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 t -113.54 37.4 3.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.28 172.87 54.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.564 1.165 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -94.47 167.83 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -58.58 -42.73 88.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.41 -44.48 78.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.14 -42.07 85.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.92 -50.45 72.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -56.24 -36.2 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD23 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.87 -47.17 78.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CE1' ' HG ' ' A' ' 61' ' ' LEU . 65.9 t80 -56.75 -43.02 80.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.65 -47.37 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.506 HG21 ' CE2' ' A' ' 29' ' ' TYR . 12.1 m -60.72 -41.55 95.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 78' ' ' LEU . 21.5 mt -60.0 -45.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.02 76.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 4.2 t -60.02 -36.81 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -58.94 -46.93 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 58' ' ' ARG . 68.3 t80 -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 104' ' ' ILE . 83.8 m -57.15 -38.2 73.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 15.7 t -73.07 -40.08 58.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 91.5 m-70 -65.63 -21.45 66.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.2 mm-40 -106.11 -3.74 21.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.14 56.43 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 5.2 mt -103.99 131.99 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -47.0 117.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.58 171.28 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -163.55 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 1.7 p-10 -138.79 158.79 43.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.8 p -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -41.74 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 95' ' ' LYS . 34.7 tp10 -68.01 -32.36 72.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.533 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -71.04 -49.99 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.6 -34.3 77.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.07 -42.05 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -49.07 76.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.407 HD13 ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -66.46 -35.01 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -65.48 -39.87 92.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.14 -47.63 70.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.265 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.91 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -48.77 67.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -64.1 -52.96 56.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -28.74 67.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -67.57 -57.19 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -54.22 -52.03 62.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -49.92 -49.85 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -53.09 46.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.81 -52.98 45.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.28 -49.44 61.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -51.95 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.07 -57.06 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.52 -48.76 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.72 -56.1 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.49 -62.6 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -64.41 -48.29 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.58 -99.38 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.424 1.077 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 175.36 167.38 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -162.44 167.25 23.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.79 170.19 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -154.64 149.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.32 150.54 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.4 170.1 11.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.33 117.03 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -112.24 166.84 10.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.482 ' C13' ' HA ' ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.09 154.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 0.801 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 57.41 94.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.93 177.7 6.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.62 48.38 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.513 ' CG1' ' CD2' ' A' ' 8' ' ' LEU . 3.3 t -121.31 -73.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' CD2' ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -130.69 171.2 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -176.67 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.07 -60.32 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.1 -49.45 43.18 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -60.91 -30.73 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CD2' ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.68 -45.26 79.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -43.87 97.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -71.28 -24.89 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 1.7 t-105 -68.01 -42.25 80.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.22 40.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.59 -12.21 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -86.57 151.68 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 38.1 mt -81.0 -35.97 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.35 153.25 81.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -35.99 2.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.65 -0.3 42.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.39 -170.59 43.71 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 47.06 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 5.6 mttt -126.43 160.38 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -154.8 -179.17 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.693 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.1 m-85 -70.47 152.87 43.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -162.57 175.06 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -23.12 44.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -64.35 -45.57 87.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.7 m170 -71.2 -35.63 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 10.4 mt -66.36 -37.53 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 t -70.46 -40.01 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.567 ' CH2' HD13 ' A' ' 78' ' ' LEU . 44.7 t90 -63.71 -49.16 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -60.77 -46.24 91.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 25.3 p -56.72 -42.99 80.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -39.71 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' CG ' HD12 ' A' ' 78' ' ' LEU . 3.9 tp10 -67.42 -38.06 84.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 1.8 mm? -61.17 -51.21 70.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.86 -40.98 90.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.06 -23.55 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 1.2 m-85 -84.92 1.64 46.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.13 21.17 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 44' ' ' PHE . 27.9 t -96.96 150.13 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.73 124.07 88.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.463 ' HB2' ' C8 ' ' A' ' 1' ' ' MYR . 18.1 Cg_endo -74.93 -36.08 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.1 96.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.46 -15.76 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.721 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 ' C12' ' A' ' 1' ' ' MYR . 10.7 tp -81.57 -2.72 51.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -81.02 -4.93 56.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 p -112.84 143.87 43.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.4 p -56.87 -33.37 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.9 -49.01 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.83 -44.59 94.22 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.433 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 44.7 t -63.94 -37.43 87.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -40.03 87.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -52.05 66.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 51' ' ' LEU . 5.3 mt -59.22 -40.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.695 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.99 -47.04 78.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -23.89 77.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -36.45 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.4 mt -95.19 -16.24 22.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm-40 -38.35 -53.31 3.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -33.34 4.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -57.1 -17.3 10.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 79' ' ' TYR . 22.4 mt -71.27 -40.55 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 tp60 -36.35 -40.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 t -146.72 40.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.86 172.77 50.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.39 167.63 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.83 -43.11 85.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.2 -44.56 79.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.077 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.31 -41.56 89.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -61.14 -50.62 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -34.57 64.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -66.97 -47.08 72.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.695 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 20.7 t80 -56.97 -40.39 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 97' ' ' THR . 25.8 t-20 -65.14 -46.66 80.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.6 m -60.87 -40.96 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 44.1 mt -61.73 -44.1 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . . . -57.13 -49.15 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.693 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 3.4 t -63.89 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.555 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 23.8 tp -58.95 -37.24 76.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CD2' HD13 ' A' ' 104' ' ' ILE . 41.4 t80 -76.05 -35.58 59.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' ILE . 46.3 m -59.03 -42.7 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 108.4 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.13 -47.25 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.497 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 10.6 m-70 -55.19 -25.6 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 5.4 mm100 -96.23 -16.29 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.0 ttm180 81.12 51.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.1 mt -110.08 132.08 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.79 145.08 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG13 ' CB ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -149.54 171.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -47.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 0.0 109.287 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.493 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -131.98 154.97 48.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 80' ' ' ASN . 9.5 t -59.99 -32.68 71.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.57 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 mm-40 -64.16 -38.36 90.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -71.14 -35.65 71.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -67.87 -45.3 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.02 -31.95 68.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.04 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -71.53 -36.86 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.0 -51.24 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.0 -51.02 69.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -55.55 -51.28 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -53.01 -48.35 67.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -42.99 91.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -57.57 -56.21 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -51.29 -52.5 44.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -50.9 -52.06 45.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -52.92 44.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.5 45.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.14 -51.02 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -50.97 60.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.57 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.68 -61.08 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 19.2 m -56.83 105.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.39 66.83 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -77.38 167.36 21.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.56 133.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -164.25 169.39 17.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.36 139.34 6.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t -113.5 143.66 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.6 m -75.02 170.05 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.09 171.16 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 63.54 94.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.466 ' H92' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.53 -63.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 0.731 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 8.2 ptt85 -111.29 51.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.88 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -167.64 60.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.05 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 76.3 t -136.37 -51.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -143.85 135.44 26.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -51.38 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.52 -56.96 22.3 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.533 1.146 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.51 97.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 2.1 mm-40 -60.86 -30.92 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.64 -45.1 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.1 -48.33 82.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.49 80.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.572 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -56.95 -39.75 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.95 36.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -115.64 -9.41 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.97 143.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.363 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -101.62 150.37 23.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt -83.16 -37.31 23.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -104.34 152.42 39.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.43 2.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.2 -9.64 72.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 114.59 168.34 15.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 tttt 161.31 -60.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.2 167.89 13.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.238 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -123.26 168.07 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.3 m-85 -58.82 167.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 179.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -24.99 27.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.59 -45.01 88.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' ND1' ' HA ' ' A' ' 29' ' ' TYR . 54.9 m80 -70.7 -35.97 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 42.5 mt -66.98 -36.38 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 t -71.18 -39.99 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD21 ' A' ' 78' ' ' LEU . 41.1 t90 -64.0 -49.04 74.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -59.75 -51.21 70.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.466 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 3.9 p -56.95 -33.17 66.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -67.66 -43.03 81.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -67.41 -46.97 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD1' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -60.73 -50.39 73.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.96 -42.86 72.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -72.36 -23.66 61.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 2.9 m-85 -84.95 -9.08 58.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.02 44.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.03 147.46 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -76.01 126.27 87.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -38.21 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.88 -19.5 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -20.79 64.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 0.723 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 82' ' ' ILE . 2.0 mt -79.09 -0.96 33.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -76.94 -4.96 46.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -125.05 141.24 52.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 25.6 p -57.28 -32.77 66.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.17 -49.12 63.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.74 -44.34 91.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.04 -41.85 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 5.7 ttp180 -62.11 -40.35 95.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.369 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.99 -52.06 66.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.1 mt -59.75 -47.78 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -55.94 -42.76 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.85 73.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -72.52 -27.89 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.9 mt -91.95 -21.33 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -55.57 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -56.72 -35.09 68.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.18 -31.62 72.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LEU . 21.2 tm0? -34.21 -40.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -150.42 42.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.15 170.62 49.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 p -88.0 171.56 10.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.3 -42.57 95.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 -44.32 75.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 68' ' ' LEU . 5.0 tt -61.11 -35.12 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' CG ' HD11 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.17 -48.31 68.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 t -54.87 -47.16 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -59.64 -47.05 87.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 1.7 t80 -58.31 -42.32 86.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.468 ' CB ' HD22 ' A' ' 101' ' ' LEU . 5.3 m-20 -59.72 -44.49 93.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 29' ' ' TYR . 34.8 m -60.77 -41.48 95.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CD1' HD23 ' A' ' 51' ' ' LEU . 6.5 mm -61.38 -46.23 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.79 -43.78 81.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.591 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 3.3 t -62.57 -37.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.514 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 1.3 tm? -62.78 -38.1 89.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 17.0 t80 -76.2 -35.58 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -39.9 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.17 -47.16 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -53.14 -39.79 63.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.88 -16.28 36.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 72.96 61.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.18 126.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -41.66 125.44 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 m -145.31 171.31 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -157.1 -45.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.46 164.74 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -59.96 -33.95 72.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.162 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -40.31 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -47.98 83.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -67.21 -33.99 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -64.53 -45.0 89.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -71.12 -37.34 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.04 -34.91 66.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -39.97 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -51.47 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -52.02 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' NE2' ' HG3' ' A' ' 65' ' ' GLN . 12.7 mm-40 -55.79 -50.45 70.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -53.24 -48.71 67.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -42.94 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 m -57.27 -56.29 23.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -52.53 45.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -51.51 50.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -51.64 -52.7 45.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.29 42.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.56 -48.3 63.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.92 59.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 120' ' ' ALA . . . -61.26 -63.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -41.92 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 118' ' ' ALA . . . -71.02 -59.57 2.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 0.3 OUTLIER 171.85 41.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 58.0 p 38.18 -156.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 177.53 115.43 0.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.81 166.89 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t30 176.35 152.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 m -164.85 165.87 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.95 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.93 98.09 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -107.8 176.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t 66.77 112.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -158.88 124.83 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -103.66 -55.47 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.482 ' C12' HD22 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.26 -62.2 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.401 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.39 132.56 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.88 160.09 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -130.01 50.48 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 8' ' ' LEU . 3.0 t -147.42 -80.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 88' ' ' VAL . 4.9 mp -107.4 144.89 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -66.7 -175.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.994 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.48 -58.41 14.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.19 -38.75 88.2 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.75 -37.15 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -45.23 61.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.2 -33.5 67.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.97 -39.53 29.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ3' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.7 -31.58 64.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.95 29.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -2.83 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 16' ' ' TRP . 2.9 mp -87.96 126.19 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 7.4 ptt180 -84.91 146.68 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 17.9 mt -74.67 -35.39 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -128.83 153.83 79.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.37 3.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.18 -0.36 31.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.49 -168.22 44.43 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -138.58 48.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 13.0 mtmt -125.85 150.13 48.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -145.79 165.88 27.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 84' ' ' VAL . 4.2 m-30 -71.0 165.69 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.29 175.14 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -19.08 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -45.02 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -70.77 -35.42 72.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mm -63.17 -45.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.81 -34.0 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CZ3' HD23 ' A' ' 78' ' ' LEU . 31.8 t90 -63.79 -49.18 73.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.528 1.143 . . . . 0.0 108.084 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' CB ' H131 ' A' ' 1' ' ' MYR . . . -64.44 -43.99 92.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.465 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 0.0 OUTLIER -57.01 -44.23 82.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -62.97 -43.0 99.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -57.07 -50.05 73.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.245 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 51' ' ' LEU . 2.5 mp -58.83 -51.08 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.88 -32.88 66.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -79.79 -23.08 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' CE2' HD23 ' A' ' 64' ' ' LEU . 1.3 m-85 -84.85 11.84 8.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.63 35.18 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.73 150.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.422 ' O ' HD11 ' A' ' 50' ' ' LEU . 2.1 m-20 -75.65 138.21 70.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.95 -30.09 77.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.51 -16.2 63.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.482 HD22 ' C12' ' A' ' 1' ' ' MYR . 37.9 tp -91.96 -0.75 57.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 6' ' ' SER . 4.8 pt-20 -76.59 -4.87 45.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 p -113.36 145.94 40.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 5.6 p -56.91 -34.35 67.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.11 -48.88 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.23 95.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 1.8 t -63.92 -42.97 97.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -67.53 -35.94 80.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -65.17 -52.08 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 41' ' ' LEU . 1.6 mp -58.93 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -56.03 -38.98 71.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.04 -23.94 73.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -72.27 -40.83 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.298 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD23 ' CE2' ' A' ' 44' ' ' PHE . 1.5 mt -91.25 -16.79 27.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -38.37 -52.79 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.04 -39.33 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.772 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -15.71 18.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 11.0 mt -73.04 -37.21 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -43.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.6 p -139.44 41.89 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 75' ' ' LEU . . . -84.15 173.38 50.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.445 1.09 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 p -87.97 171.1 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -44.35 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 16.3 pt-20 -67.63 -41.86 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -49.26 78.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -55.89 -39.2 71.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD23 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -62.64 -47.12 85.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.636 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 7.7 t80 -57.95 -39.03 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' ND2' ' CD1' ' A' ' 101' ' ' LEU . 12.4 t-20 -63.76 -46.7 84.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 29' ' ' TYR . 2.1 m -60.97 -42.78 98.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.434 ' CD1' HD12 ' A' ' 41' ' ' LEU . 17.2 mm -61.23 -47.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 61' ' ' LEU . . . -56.87 -45.59 82.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 29' ' ' TYR . 7.1 t -62.43 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.647 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 2.6 tm? -59.24 -44.12 92.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 38.4 t80 -61.94 -40.25 94.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' ILE . 1.3 m -60.42 -45.0 95.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 108.378 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' CG1' HD22 ' A' ' 8' ' ' LEU . 3.9 t -64.78 -33.03 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m-70 -61.29 -49.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 3.09 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.71 63.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 87' ' ' CYS . 4.4 mt -106.74 132.03 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.3 122.27 9.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.424 ' C ' ' CE ' ' A' ' 95' ' ' LYS . 3.5 m -136.39 155.46 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' CE ' ' C ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -142.79 -47.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 1.8 p-10 -135.05 156.52 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 p -59.68 -32.24 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -70.07 -44.98 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.08 -33.39 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -69.84 -50.06 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 79' ' ' TYR . 9.2 mt -65.9 -32.93 74.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -71.09 -41.97 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -49.08 71.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.459 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -65.21 -35.08 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.16 -39.96 82.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.05 -48.93 66.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -56.05 -48.92 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.407 ' NE2' HE22 ' A' ' 65' ' ' GLN . 3.1 tt0 -56.77 -51.44 68.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -53.0 -48.78 67.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -59.04 -42.91 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 t -57.02 -56.27 23.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -51.14 -52.25 45.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.13 -52.2 46.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -52.86 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.38 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.29 -51.19 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.99 -50.82 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.36 -58.6 7.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.17 1.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -42.92 -61.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.41 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -44.41 -55.38 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.1 p -74.18 177.19 5.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.98 -59.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.97 167.42 21.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -134.53 167.53 20.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.72 169.76 17.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.14 158.31 41.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.26 139.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 m -75.34 -58.58 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 50.06 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.7 167.51 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.53 ' C9 ' ' CG2' ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.61 103.88 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.41 159.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.25 152.33 18.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.173 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -114.79 -39.67 3.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 8' ' ' LEU . 2.6 t -65.32 -55.46 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -117.29 125.88 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -72.65 -173.35 1.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.69 -57.73 18.26 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.93 -42.35 92.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -75.26 -45.18 41.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.61 -39.8 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -41.6 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -56.98 -32.71 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 107.914 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.42 31.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -7.1 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.24 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.6 mtm-85 -84.67 149.64 25.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 33' ' ' HIS . 89.6 mt -80.45 -39.27 28.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 152.12 79.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -36.17 2.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.29 -0.62 50.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.1 -171.62 36.91 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.6 45.68 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.38 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 17.2 mmtt -120.23 164.19 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.62 -179.05 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 81' ' ' THR . 3.2 m-85 -78.51 157.61 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.42 179.74 5.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -19.96 26.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -45.46 73.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 21' ' ' LEU . 63.5 m80 -71.02 -35.92 72.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.549 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 82.6 mt -66.58 -44.13 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.82 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CH2' HD21 ' A' ' 78' ' ' LEU . 44.0 t90 -63.76 -49.03 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' C12' ' A' ' 1' ' ' MYR . . . -58.95 -37.52 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -41.05 97.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.09 -49.76 70.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -57.97 -45.96 85.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.4 -35.9 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -19.45 52.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CE2' ' CD2' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -84.72 -8.88 58.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 83.33 32.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 50' ' ' LEU . 6.0 p -123.42 150.19 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.75 136.25 70.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.52 56.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.01 -13.7 38.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 41' ' ' LEU . 78.3 mt -81.77 -0.26 42.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 58.0 tt0 -76.05 -4.99 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 p -121.33 135.99 55.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 51.8 p -56.71 -31.21 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.983 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.38 -44.8 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -61.76 -45.34 96.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 54' ' ' SER . 15.0 p -66.64 -37.18 84.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 3.9 ttp180 -65.66 -36.25 83.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.84 -50.45 62.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 50' ' ' LEU . 3.8 mt -58.81 -44.41 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.709 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.91 -49.54 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.08 -24.02 73.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.617 1.198 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.29 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -89.75 -16.84 29.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -40.04 -52.07 5.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.99 -35.33 3.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.0 m -56.89 -18.49 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.944 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 10.5 mt -73.16 -39.53 65.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -36.0 -40.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 t -147.19 41.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.75 172.73 46.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -89.04 168.9 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -43.41 90.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -43.96 81.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.46 -40.77 92.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.8 -47.9 83.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.488 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 1.5 t -57.06 -40.29 76.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -61.8 -47.19 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.709 ' CD1' ' CD2' ' A' ' 61' ' ' LEU . 5.6 t80 -56.17 -42.97 77.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.571 HG21 ' CE2' ' A' ' 29' ' ' TYR . 1.7 m -60.49 -42.9 97.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 61' ' ' LEU . 24.2 mm -61.06 -44.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.72 -44.49 81.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG12 ' CE2' ' A' ' 29' ' ' TYR . 2.7 t -65.17 -33.16 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 28.9 tp -66.63 -33.73 76.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 70.6 t80 -76.56 -41.34 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 2.9 p -59.85 -41.1 90.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.483 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -73.31 -47.27 47.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 5.1 m-70 -56.66 -24.83 51.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -98.34 -16.07 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 76.36 52.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 10.0 mt -106.78 120.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -41.77 135.76 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.8 171.31 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -148.36 -46.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 165.24 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 t -59.99 -36.28 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -70.07 -42.42 72.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.28 -32.03 72.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.437 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -68.85 -48.26 63.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 79' ' ' TYR . 7.2 tp -68.94 -31.73 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.09 -41.35 70.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -47.39 79.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -35.07 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.37 -40.1 95.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.95 -53.47 26.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.99 -51.96 65.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -55.06 -50.95 67.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -52.98 -48.65 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -58.9 -42.96 90.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 m -57.23 -56.23 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.077 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -51.26 -52.41 45.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -52.11 45.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.64 -53.01 43.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.28 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.613 1.196 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -52.37 -51.22 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -52.01 -50.85 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.42 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.46 -62.06 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.49 -60.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -42.27 -49.71 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 74.5 m 64.25 112.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -179.71 -84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -54.44 167.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -152.04 -55.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t 53.36 96.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -175.36 126.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.33 137.32 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.54 170.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.938 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -107.4 171.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -43.84 131.0 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.1 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.549 H142 ' CH2' ' A' ' 16' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.0 -70.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -57.56 147.04 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.79 164.39 13.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -156.07 64.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.469 HG23 ' C11' ' A' ' 1' ' ' MYR . 2.8 t -141.35 -81.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 89' ' ' HIS . 2.7 mt -118.58 151.17 38.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -70.78 -174.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -57.94 17.2 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.05 -44.81 96.76 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -30.64 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.71 -45.07 60.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.22 -45.42 93.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -29.78 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.575 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 1.3 t-105 -65.44 -37.17 86.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.76 34.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -116.99 -8.34 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.3 mp -87.41 138.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -93.11 152.45 19.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 21.3 mt -82.93 -37.35 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -130.62 152.31 80.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -36.18 2.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.76 -4.16 52.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.04 -170.85 45.44 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -138.53 47.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 0.723 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 11.7 mtpt -119.33 144.07 47.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -134.56 164.47 27.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.554 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.3 m-85 -67.13 163.96 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.9 173.29 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.226 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.19 -22.31 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.69 -45.28 83.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -71.26 -35.62 71.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.6 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 7.1 mt -68.25 -33.65 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 ' CD1' ' A' ' 31' ' ' LEU . 9.3 t -72.06 -42.7 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.99 -49.12 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -61.74 -43.66 98.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 1.2 t -56.85 -42.87 80.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -63.6 -42.97 98.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 2.5 tp10 -57.71 -48.18 80.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 2.6 mm? -57.81 -51.0 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.18 -34.26 63.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -23.8 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 5.2 m-85 -85.02 -0.22 53.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 70.68 45.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.05 145.76 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -75.94 125.32 88.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' CB ' ' H72' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -75.07 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.66 93.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -70.01 -19.75 63.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 60' ' ' ILE . 8.3 tp -83.45 -0.65 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -76.79 -4.92 45.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.6 p -114.22 150.52 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 6.7 p -57.0 -36.42 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.16 73.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.94 92.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 46.6 t -63.9 -44.97 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.1 ttt180 -61.27 -42.72 99.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.01 -47.53 82.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 20.6 mt -58.9 -44.99 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 15.4 tp -55.04 -43.57 73.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 65' ' ' GLN . . . -73.98 -23.01 77.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.27 -41.39 76.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -97.62 -10.0 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.92 -56.16 0.89 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 -32.55 5.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 64' ' ' LEU . 73.8 m -56.57 -21.43 26.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.41 -42.22 99.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -36.1 -65.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.423 ' CG2' ' OE1' ' A' ' 69' ' ' GLN . 4.7 p -117.33 37.03 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.22 171.44 54.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 171.46 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.84 -42.45 97.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.38 -44.04 79.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.31 -36.11 77.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.48 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -40.92 85.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.56 -44.46 86.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD2' HD22 ' A' ' 68' ' ' LEU . 54.7 t80 -55.79 -43.05 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.77 -43.45 88.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 ' CE2' ' A' ' 29' ' ' TYR . 5.3 m -60.69 -41.74 95.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.418 ' CG2' ' SG ' ' A' ' 57' ' ' CYS . 16.7 mm -64.27 -41.49 92.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.13 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.554 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 2.6 t -65.29 -31.05 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 4.3 tp -68.21 -31.26 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 88.4 t80 -76.53 -43.13 40.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 8.5 p -61.1 -40.62 94.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -71.98 -47.12 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 8' ' ' LEU . 24.3 m-70 -54.17 -30.95 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -90.24 -16.37 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.6 mtp180 82.73 51.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -110.24 132.06 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -56.98 142.56 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -146.03 171.27 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -46.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 p -59.85 -28.01 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.08 -45.04 78.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -43.49 79.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.98 74.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.203 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.95 -35.49 80.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.33 -33.69 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -70.14 -47.83 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 25.8 mm -56.97 -43.05 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.72 -39.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -55.76 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.94 -50.63 70.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.99 -50.15 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -53.04 -49.06 67.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.92 -43.02 91.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -56.89 -56.39 22.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.94 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -51.67 47.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -51.69 -52.81 45.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -51.28 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.59 37.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.37 -46.47 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.05 -45.66 43.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.83 -37.18 62.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.26 -36.05 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.52 -60.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -40.5 -64.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.9 p 44.82 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.53 147.32 18.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.72 167.48 15.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.74 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -153.29 140.17 19.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 t -51.87 -58.52 6.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? 55.84 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.94 146.08 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.23 167.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.75 161.21 31.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -63.07 167.66 4.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.47 H101 ' CG2' ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.4 170.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.364 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' ALA . 6.7 tpt180 -65.42 122.51 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.76 -175.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.66 60.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HD21 ' A' ' 8' ' ' LEU . 27.2 t -128.59 -46.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -160.15 161.79 33.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -58.77 173.32 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -54.74 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.81 -46.34 18.95 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 2.5 mp0 -69.32 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.361 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -60.11 -45.1 94.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -49.94 52.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -27.12 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -79.0 -41.29 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 107.995 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 30.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 -7.0 11.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 28' ' ' GLN . 2.1 mt -87.57 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -88.47 153.47 21.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD2' ' CE1' ' A' ' 29' ' ' TYR . 55.2 mt -83.12 -40.5 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.1 mtt85 -120.14 153.99 55.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.72 2.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 3.54 27.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.86 -170.89 43.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 44.54 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -120.01 161.04 21.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 6.8 pt20 -160.08 -179.13 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 81' ' ' THR . 3.3 m-85 -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.94 177.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CD2' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -55.0 -25.87 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -45.05 93.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -70.66 -35.65 72.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.534 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 17.8 mt -66.42 -37.07 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -71.13 -39.78 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -63.86 -49.02 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 108.0 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' CB ' H131 ' A' ' 1' ' ' MYR . . . -63.67 -40.22 96.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 t -56.99 -47.1 81.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.97 -43.09 99.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.22 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' HD21 ' A' ' 78' ' ' LEU . 1.1 tp10 -61.0 -42.51 98.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -51.16 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.94 -34.54 63.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -26.17 39.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' A' ' 75' ' ' LEU . 3.3 m-85 -85.75 14.07 6.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.53 39.76 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -124.98 150.03 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 2.7 m-80 -84.48 137.47 39.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.5 -22.81 69.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.541 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -63.84 -13.61 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' N ' HD11 ' A' ' 50' ' ' LEU . 75.9 mt -83.48 -0.79 51.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.77 -4.86 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 p -121.49 128.89 52.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 p -56.84 -28.27 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -48.96 55.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 50' ' ' LEU . . . -61.17 -41.29 99.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.402 1.064 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.94 -43.79 94.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -61.9 -38.63 89.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.44 -39.67 92.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 50' ' ' LEU . 7.7 mt -68.25 -48.1 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.67 ' CD2' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.58 -43.89 76.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.33 -23.54 73.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -78.74 -22.56 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 7.9 mt -100.65 -31.63 11.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.518 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.46 -57.79 1.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -36.42 2.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -58.45 -16.11 13.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 79' ' ' TYR . 28.3 mt -63.16 -19.29 64.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -33.77 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.41 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 9.0 t -112.99 35.72 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.8 170.72 48.71 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -99.7 172.92 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.74 -42.02 98.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -44.94 76.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 9.9 tt -56.56 -43.64 80.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 3.6 mtm-85 -60.86 -50.92 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 t -55.72 -36.43 67.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 40' ' ' GLU . 1.4 tp -64.17 -47.25 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.67 ' CE2' ' CD2' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.24 -39.49 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.497 ' OD1' ' CG2' ' A' ' 97' ' ' THR . 36.8 t-20 -62.62 -48.52 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.561 HG21 ' CE2' ' A' ' 29' ' ' TYR . 7.3 m -60.88 -41.77 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.8 mm -65.1 -40.93 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . . . -56.69 -49.19 75.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.482 ' CG2' ' CB ' ' A' ' 100' ' ' ALA . 2.5 t -61.66 -38.98 81.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.569 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 14.6 tp -58.9 -45.48 90.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 24.9 t80 -61.97 -44.16 97.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -58.35 -37.72 75.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.239 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 15.2 t -69.88 -36.57 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.421 ' NE2' ' HG ' ' A' ' 85' ' ' LEU . 3.1 m-70 -72.98 -20.78 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.435 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 7.4 mm-40 -98.81 -1.85 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.12 54.1 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.483 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 3.3 mt -107.47 132.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -49.23 135.08 17.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CA ' ' HE2' ' A' ' 95' ' ' LYS . 5.4 m -148.5 155.24 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' CG ' ' OE1' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -145.36 -53.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.435 ' OD2' ' CB ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -119.97 153.95 35.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.497 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 75.0 m -59.99 -36.19 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.03 91.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.501 ' OE1' ' CG ' ' A' ' 95' ' ' LYS . 2.5 tt0 -62.66 -37.83 87.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' CB ' ' CG2' ' A' ' 84' ' ' VAL . . . -61.26 -49.43 77.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -34.06 75.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.56 -37.21 76.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -48.92 63.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.461 HG22 ' CD1' ' A' ' 61' ' ' LEU . 3.4 mm -57.06 -42.56 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 108' ' ' GLN . 51.7 tt0 -70.44 -30.06 66.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.06 -46.43 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -72.05 -51.47 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' CG ' ' HA ' ' A' ' 105' ' ' GLU . 3.3 pp0? -54.98 -37.1 66.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -71.5 -44.55 64.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -37.58 77.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -67.17 -59.34 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -50.8 -29.63 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.332 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 3.9 ttpp -68.41 -57.82 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -51.61 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.29 -53.61 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.33 -49.61 61.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.93 -52.17 58.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.5 -56.82 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.48 -52.19 2.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.95 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -40.54 -59.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 43.0 p -62.57 -55.86 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 173.26 123.27 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -165.51 167.66 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -114.14 167.66 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.06 170.33 11.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -127.44 158.61 36.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.73 175.76 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.6 t -174.94 160.54 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -168.69 159.3 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -177.64 148.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.468 H141 ' CD1' ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 4' ' ' ARG . . . 40.47 86.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 161.41 145.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 46.9 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.225 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.38 33.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 8' ' ' LEU . 47.2 t -122.16 -42.29 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -159.32 -176.23 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -178.51 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.75 -53.66 26.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.66 79.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.63 -40.97 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.54 -33.06 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.62 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -37.86 61.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -56.97 -39.31 74.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.19 27.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 -4.09 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.29 147.09 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 12.2 ptp180 -99.61 153.11 19.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 29' ' ' TYR . 1.5 mt -82.73 -38.75 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -112.13 153.37 44.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.95 -36.46 2.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.75 85.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 109.19 166.53 20.45 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 160.88 -60.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -164.96 177.68 7.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.31 173.27 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CD1' HD22 ' A' ' 21' ' ' LEU . 4.2 m-85 -76.42 167.09 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 pttm 179.15 -179.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -21.65 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.45 81.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 29' ' ' TYR . 7.7 m170 -71.28 -35.78 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 15.2 mt -68.03 -34.31 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 4' ' ' ARG . 4.5 t -71.56 -42.44 72.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CH2' ' HG ' ' A' ' 78' ' ' LEU . 11.5 t90 -63.86 -49.15 73.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' CB ' H131 ' A' ' 1' ' ' MYR . . . -60.42 -46.5 89.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.4 t -57.0 -40.94 77.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -62.67 -43.23 99.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.602 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 60' ' ' ILE . 4.2 mm? -60.62 -51.13 70.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.39 -33.07 73.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -77.52 -21.26 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -84.79 -8.97 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 80.95 31.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -119.28 150.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.456 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.2 t30 -75.65 125.05 88.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.465 ' HB2' ' C7 ' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -74.99 -35.71 2.99 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.516 1.798 . . . . 0.0 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.06 -36.07 79.76 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -67.12 -11.84 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.564 0.802 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD22 ' C12' ' A' ' 1' ' ' MYR . 6.6 tp -74.0 -4.63 36.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.95 -4.88 46.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 p -115.88 137.28 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -56.82 -30.86 64.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -46.76 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 50' ' ' LEU . . . -59.92 -44.03 97.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 14.9 t -63.89 -41.06 97.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.98 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.73 -49.18 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 41' ' ' LEU . 8.7 mt -61.37 -45.3 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -55.78 -43.83 77.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.84 -23.77 75.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -70.65 -38.64 73.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' SER . 4.5 pp -98.22 -10.34 24.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.4 mt-30 -37.73 -52.96 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -29.5 8.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 t -57.83 -16.51 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.65 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.3 mt -71.99 -39.66 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.3 tt0 -35.74 -67.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -115.34 37.69 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.67 -174.09 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -104.59 167.77 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.86 -43.15 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -67.68 -44.28 78.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.35 -43.1 83.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -51.95 67.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -33.07 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.571 ' HG ' ' CH2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -67.71 -46.99 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 9.5 t80 -56.78 -41.79 78.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -64.47 -45.75 86.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.491 HG21 ' CE2' ' A' ' 29' ' ' TYR . 18.3 m -60.65 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.479 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 10.0 mt -62.17 -38.41 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.207 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.64 85.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 25.0 t -59.85 -39.84 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.564 ' HG ' ' CE1' ' A' ' 89' ' ' HIS . 8.9 tp -58.82 -44.88 90.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' ARG . 35.4 t80 -63.15 -40.04 96.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 6.0 t -58.59 -44.29 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.371 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.564 ' CE1' ' HG ' ' A' ' 85' ' ' LEU . 2.0 m-70 -70.17 -23.77 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 68.9 mm-40 -93.56 -16.04 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 71.95 51.89 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.401 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 2.7 mt -110.08 132.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.08 132.22 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 100' ' ' ALA . 2.9 m -149.56 171.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -117.28 162.32 18.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -39.77 85.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . 21.6 tp10 -66.34 -36.04 81.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . . . -71.34 -50.07 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 79' ' ' TYR . 6.7 tp -59.36 -42.15 90.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -71.25 -31.78 67.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -49.13 70.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.1 pt -71.68 -36.56 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.53 -39.98 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -51.88 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -48.92 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.03 -49.67 75.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.96 -50.15 64.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.393 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.8 91.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -55.47 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.5 mttt -57.17 -58.65 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.95 -42.5 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.14 -40.47 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' LYS . . . -58.64 -61.17 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -52.16 -39.56 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -54.79 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 122' ' ' THR . . . -61.59 -51.6 67.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.69 -27.37 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.84 -57.37 3.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -164.41 72.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 118' ' ' ALA . 6.7 t -57.83 107.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.11 -131.78 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.81 157.85 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.393 0.702 . . . . 0.0 109.375 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -45.64 130.56 9.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.4 p -165.48 168.08 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.18 120.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.54 176.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.4 t 62.89 127.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -169.98 147.12 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -156.15 160.41 39.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.471 ' H92' ' CG2' ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.21 -84.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.93 141.74 58.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.65 152.48 20.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.1 27.47 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' ' H92' ' A' ' 1' ' ' MYR . 52.5 t -142.75 -56.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.0 mm? -107.68 134.29 50.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.13 -166.97 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.73 -61.84 6.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.07 -39.09 46.37 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.97 -35.19 76.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 0.831 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' SER . 1.5 tp -75.79 -45.31 36.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.02 -32.88 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -83.91 -42.19 16.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.77 -25.88 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.034 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 2.4 tm-20 -89.83 32.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.71 -7.3 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.35 121.83 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -89.25 145.5 25.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.9 -37.27 40.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.364 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.86 152.07 38.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -39.35 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -14.66 75.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.23 168.48 13.76 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 27.9 tptt 160.9 -60.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -171.14 174.11 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -127.21 171.59 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.216 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 81' ' ' THR . 5.1 m-30 -59.24 156.29 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 178.99 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -18.99 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.29 69.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -71.19 -37.81 72.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.529 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 65.8 mt -65.75 -44.16 93.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.28 -37.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD21 ' A' ' 78' ' ' LEU . 29.9 t90 -63.7 -49.05 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.25 88.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -57.07 -48.07 79.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -42.94 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CA ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.18 -46.29 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -57.97 -51.08 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.237 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.51 -32.9 67.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -20.99 44.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' CB ' HG13 ' A' ' 46' ' ' VAL . 2.5 m-85 -84.74 12.51 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.04 34.19 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 50' ' ' LEU . 6.9 p -125.02 150.8 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 46' ' ' VAL . 38.2 m-80 -75.17 138.09 72.16 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -33.13 4.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.3 -16.08 8.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CG2' ' A' ' 46' ' ' VAL . 69.5 mt -62.41 -35.98 80.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 41' ' ' LEU . 6.5 mt -74.46 -3.46 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.79 -4.83 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 p -144.25 142.5 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 45.8 p -56.82 -30.75 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.74 -49.15 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.2 96.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.578 1.174 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 10.9 p -63.85 -39.68 94.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 2.8 tmt_? -59.95 -42.42 94.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.68 -45.55 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 25.0 mt -58.94 -47.97 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.611 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.81 -43.96 77.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.88 77.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -40.73 67.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.34 -15.59 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -39.06 -52.56 3.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -36.38 2.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -57.74 -16.72 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.666 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -68.31 -40.36 81.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' LEU . 27.6 tp60 -36.11 -68.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -114.54 40.6 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.33 172.93 51.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -94.0 168.18 11.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.44 -43.25 88.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.78 -44.26 81.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.45 -39.84 88.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -61.95 -49.4 76.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.9 t -56.09 -37.81 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CH2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -64.14 -47.21 80.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 2.6 t80 -55.88 -43.05 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.571 HG21 ' CE2' ' A' ' 29' ' ' TYR . 3.4 m -60.63 -42.18 96.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' CG2' ' HG ' ' A' ' 61' ' ' LEU . 19.2 mm -61.59 -42.96 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 100' ' ' ALA . 3.5 t -63.47 -34.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 89' ' ' HIS . 37.5 tp -62.72 -36.47 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -74.22 -38.84 63.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.8 m -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.12 -47.09 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.547 ' CE1' HD13 ' A' ' 85' ' ' LEU . 2.7 m-70 -54.93 -25.04 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -98.14 -16.26 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 30.8 ttt180 80.17 52.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.03 132.05 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.51 127.66 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.73 171.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 99' ' ' GLU . 0.4 OUTLIER -146.04 -46.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.94 168.11 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 t -67.3 -35.22 79.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.98 77.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 10.7 tp10 -62.18 -48.05 81.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.628 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 9.6 tp -57.29 -41.12 79.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.23 -32.5 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -49.07 74.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 26.8 mt -69.51 -35.55 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.52 -39.94 94.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.08 -52.25 30.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -52.0 65.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.15 -50.63 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -52.96 -48.94 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -42.91 91.03 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.386 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -56.3 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.931 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -52.28 45.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -51.12 -52.04 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.95 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.14 -52.26 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -51.51 58.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -50.76 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.91 -58.07 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -45.55 -61.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.61 -61.09 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' GLY . 24.9 t0 -43.57 -48.79 7.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 84.1 m 66.72 -70.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' ASP . . . 134.53 60.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.43 140.23 40.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -108.14 -55.46 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m 62.63 168.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.19 -59.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t 60.98 102.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.84 168.34 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.956 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -177.5 144.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.92 157.31 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.49 H101 ' CG2' ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.35 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -127.21 146.37 50.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.18 -175.66 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.15 -32.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.06 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' HA ' ' CB ' ' A' ' 52' ' ' GLU . 3.4 t -74.43 -64.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD12 ' CE3' ' A' ' 16' ' ' TRP . 35.0 mt -102.25 128.48 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 14.2 m -78.42 -170.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -55.0 32.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.94 -45.71 49.52 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.05 70.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.1 tp -75.21 -45.36 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.69 89.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -75.6 -37.2 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -56.99 -35.04 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -86.58 36.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -117.22 -9.5 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.4 mp -87.3 122.24 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -89.2 140.42 29.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.98 -34.04 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.72 152.04 40.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -42.61 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.56 76.4 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 123.33 168.17 12.99 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.7 tttt 160.31 -59.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.66 175.02 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -133.46 170.43 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 4.3 m-30 -55.96 144.96 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.15 179.18 7.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -19.75 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -45.82 72.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 6.5 m170 -71.28 -35.79 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.555 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 16' ' ' TRP . 21.6 mt -67.2 -41.6 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.49 -41.11 90.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.577 ' CH2' ' CD1' ' A' ' 78' ' ' LEU . 45.4 t90 -63.71 -49.17 74.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -59.36 -40.79 87.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' H111 ' A' ' 1' ' ' MYR . 0.3 OUTLIER -63.22 -39.06 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -62.91 -42.98 99.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.28 -33.25 72.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -62.93 -51.27 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -33.0 74.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -29.74 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 1.3 m-30 -86.27 10.5 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.34 47.33 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.94 150.06 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.16 127.35 81.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.478 ' HB2' ' C8 ' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -75.02 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -63.08 -37.8 95.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.65 -11.85 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 0.7 OUTLIER -85.41 -4.85 59.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 6.8 pt-20 -76.28 -4.84 44.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 p -104.27 139.33 39.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.3 -31.21 63.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -71.07 -47.67 57.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -38.91 96.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.3 t -66.33 -45.14 81.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 3.3 tmt_? -64.34 -35.91 82.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -49.0 76.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -58.99 -48.05 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.0 tp -55.89 -40.68 73.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.34 -23.92 76.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -40.98 67.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -89.9 -16.8 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.2 mt-30 -38.59 -52.73 3.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.06 -33.84 4.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 t -61.15 -14.39 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 13.6 mt -73.14 -35.2 66.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 57.1 mm-40 -37.19 -42.11 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -143.66 39.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.25 173.34 53.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.75 167.52 12.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.21 -43.14 87.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.42 -43.61 80.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.6 -39.59 88.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.48 89.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -41.26 83.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.577 ' CD1' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.6 -44.68 89.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 3.4 t80 -55.74 -43.18 76.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' ND2' HD21 ' A' ' 101' ' ' LEU . 8.3 t-20 -64.85 -43.88 91.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -60.81 -42.4 97.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -43.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' CA ' HD12 ' A' ' 61' ' ' LEU . . . -56.54 -48.28 77.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 100' ' ' ALA . 2.5 t -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.564 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 13.0 tp -63.41 -37.73 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 58' ' ' ARG . 59.4 t80 -72.49 -34.56 67.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' ILE . 71.3 m -63.46 -45.1 92.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -71.15 -47.08 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 4.0 m-70 -48.28 -43.61 32.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -86.86 -16.57 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER 76.69 63.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.2 mm -110.07 132.0 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.77 120.35 2.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 m -137.4 171.29 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.63 -46.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.01 155.54 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 t -60.64 -35.36 76.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.32 -42.19 79.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.407 HD21 ' ND2' ' A' ' 80' ' ' ASN . 7.7 tp -68.53 -38.5 80.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -71.07 -37.25 72.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -63.51 -49.05 75.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.438 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.8 -34.84 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -40.06 95.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.9 -52.0 34.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.99 -44.15 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.97 -35.85 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -53.02 61.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' SER . 17.4 ptpt -61.16 -39.42 90.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 6.8 p -63.3 -37.0 85.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -66.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -46.54 -42.55 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -58.92 -51.21 71.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.79 41.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.68 -46.72 89.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.82 -42.15 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.6 -38.35 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 122' ' ' THR . . . -53.96 -32.53 54.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -89.5 -55.72 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' THR . 14.5 t70 -42.7 -68.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 119' ' ' ALA . 15.6 p 38.73 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -164.6 123.68 1.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -165.43 163.17 19.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.256 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -156.2 119.49 4.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.09 146.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.24 72.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.24 143.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.12 169.97 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -156.69 150.01 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -135.3 166.44 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.472 ' C9 ' HG22 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.58 -60.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -134.88 78.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.78 -175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.28 49.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 HG22 ' C9 ' ' A' ' 1' ' ' MYR . 3.2 t -140.77 -79.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 85' ' ' LEU . 5.4 mp -102.24 142.95 32.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -73.36 -178.27 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.39 -58.1 16.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.64 97.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 13.4 mt -75.01 -41.77 58.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.57 -37.16 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ3' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -57.01 -30.29 64.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 107.964 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.66 29.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -5.3 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.03 138.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -85.61 151.09 24.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 33' ' ' HIS . 54.4 mt -82.25 -39.83 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -130.78 152.31 80.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.12 2.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.55 -0.42 55.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.61 -171.62 36.13 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.03 47.02 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -123.52 161.38 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.51 177.18 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 84' ' ' VAL . 3.5 m-30 -76.0 175.4 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.63 174.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -26.13 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.03 93.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' HD12 ' A' ' 21' ' ' LEU . 41.6 m80 -70.85 -35.94 72.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 27.5 mt -66.25 -35.93 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.76 -46.65 73.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' A' ' 78' ' ' LEU . 10.2 t90 -63.92 -34.86 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -53.28 39.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB3' ' C10' ' A' ' 1' ' ' MYR . 21.7 p -57.03 -39.05 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -43.08 99.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 3.3 tp10 -63.23 -44.33 95.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 82' ' ' ILE . 1.3 mp -61.94 -51.0 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -55.01 -38.02 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -25.39 55.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 2.5 m-85 -85.3 -4.24 59.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 80.34 43.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 t -124.97 143.52 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -76.31 130.09 78.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.41 2.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.06 -20.57 71.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -70.57 -13.23 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 109.347 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 82' ' ' ILE . 36.0 mt -83.79 -2.59 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.92 -4.92 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 p -124.89 135.53 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 p -56.9 -30.79 64.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.39 -48.99 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.49 93.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.5 m -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 86' ' ' TYR . 16.9 tpt85 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 19.5 mt -59.51 -49.06 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.93 -49.6 73.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.88 -29.4 74.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -24.14 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 17.6 mt -88.0 -31.97 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -36.21 -53.88 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.01 -30.7 6.86 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' LEU . 67.1 m -56.27 -47.51 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -58.98 -29.27 67.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 58.9 tp60 -37.41 -40.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -146.32 31.15 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.92 52.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 p -96.38 169.58 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.29 -39.66 87.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.51 -47.04 68.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.6 tt -59.83 -39.45 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -47.64 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -47.0 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -57.94 -46.81 84.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.694 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -57.47 -42.61 82.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.473 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 88.1 m-20 -59.3 -45.62 90.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.484 HG21 ' CE2' ' A' ' 29' ' ' TYR . 2.5 m -60.72 -42.51 97.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 51' ' ' LEU . 5.0 mm -61.42 -43.34 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' HD12 ' A' ' 61' ' ' LEU . . . -56.89 -48.71 77.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 29' ' ' TYR . 3.8 t -59.92 -37.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD21 ' CZ3' ' A' ' 16' ' ' TRP . 1.2 tm? -59.01 -46.74 87.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 58' ' ' ARG . 22.5 t80 -61.85 -44.29 97.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.1 m -56.92 -39.04 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 19.2 t -65.73 -42.97 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 85' ' ' LEU . 37.2 m-70 -58.95 -35.96 74.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.01 -10.64 52.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.16 62.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 mt -109.97 130.83 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.85 130.77 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -142.23 159.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -39.55 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.79 157.46 46.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.0 t -59.95 -28.04 67.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -70.0 -38.97 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.07 -45.82 72.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 84' ' ' VAL . . . -62.4 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 79' ' ' TYR . 9.2 tp -68.98 -31.02 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -40.66 71.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -49.0 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.67 -34.97 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.1 -39.83 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.03 -47.75 64.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -51.92 66.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -53.97 50.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -54.68 -38.8 67.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -60.65 -42.04 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.9 m -68.45 -61.83 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -46.5 -41.97 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -56.26 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -50.36 -51.09 48.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.98 45.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.18 -51.06 60.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -50.9 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.44 -58.82 6.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.54 -61.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.53 -55.45 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.8 m -75.58 106.34 7.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -37.82 120.62 0.87 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 177.35 167.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.77 159.29 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.5 170.5 17.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.87 171.39 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.1 140.25 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.37 170.29 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -141.42 166.57 24.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -156.1 167.04 31.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.589 HG12 HD11 ' A' ' 85' ' ' LEU . 54.6 t -70.74 -59.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' A' ' 89' ' ' HIS . 80.1 mt -138.49 147.3 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.433 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -75.18 -177.14 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.22 -55.13 31.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.87 -44.69 97.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' OE2' ' CB ' ' A' ' 9' ' ' SER . 1.2 mp0 -60.78 -32.34 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 31' ' ' LEU . 5.8 mt -75.03 -36.93 61.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -40.5 97.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.62 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.741 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -56.96 -32.97 66.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 107.949 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.06 32.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -6.71 11.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.3 138.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 6.2 mtm180 -89.57 151.66 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD11 ' NE2' ' A' ' 33' ' ' HIS . 14.7 mt -83.84 -37.98 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -128.37 152.21 77.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.78 41.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.04 -171.14 41.63 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -134.71 45.64 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 24.6 mttt -112.45 156.23 22.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.5 pt20 -150.1 162.3 40.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 3.3 m-85 -72.88 160.63 31.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.22 173.56 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -54.99 -27.12 41.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -45.25 93.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.663 ' NE2' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.64 -35.85 75.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.621 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 37.8 mt -65.64 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.51 -38.81 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CH2' HD12 ' A' ' 78' ' ' LEU . 39.4 t90 -63.83 -49.16 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.839 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -61.1 -43.66 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -59.29 -41.13 88.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -62.85 -43.09 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -68.09 -37.72 81.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -64.48 -51.05 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -34.99 75.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -24.87 56.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.691 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -85.01 -6.07 59.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.39 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -123.21 140.98 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.862 ' HB2' HD23 ' A' ' 50' ' ' LEU . 3.3 t30 -76.0 132.72 73.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -61.33 -40.77 99.09 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.947 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.03 -11.95 61.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 41' ' ' LEU . 1.3 tp -86.95 -0.68 56.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.2 pt-20 -76.51 -36.54 57.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -71.39 140.73 50.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -26.33 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.21 -48.95 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -37.17 93.82 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -67.49 -45.02 77.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 4.1 ttt-85 -64.84 -36.01 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -63.77 -48.52 76.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 41' ' ' LEU . 12.6 mt -58.93 -47.85 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 11.8 tp -55.99 -41.88 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.34 -24.0 77.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -32.85 59.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLN . 9.9 mt -93.43 -17.81 23.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.75 -53.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m -57.26 -17.57 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.191 HD11 ' CD2' ' A' ' 79' ' ' TYR . 5.0 mt -73.02 -39.26 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.7 tt0 -38.28 -43.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -140.75 37.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 75' ' ' LEU . . . -82.03 174.89 53.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 p -90.06 166.0 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.774 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.55 -42.42 82.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -67.98 -44.45 76.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD23 ' HA3' ' A' ' 71' ' ' GLY . 1.4 tp -58.29 -42.21 86.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -62.98 -48.5 78.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.8 m -57.8 -37.58 74.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.01 -47.09 81.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.191 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.8 t80 -56.94 -42.98 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.767 ' HA ' HD21 ' A' ' 101' ' ' LEU . 77.3 m-20 -62.91 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.689 HG22 ' HH2' ' A' ' 16' ' ' TRP . 17.6 m -60.98 -41.64 96.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 57' ' ' CYS . 24.2 mt -63.85 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.044 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -59.01 -46.42 88.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.1 t -60.0 -42.99 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD11 HG12 ' A' ' 7' ' ' VAL . 23.7 tp -58.88 -44.51 91.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.491 ' CZ ' ' OE1' ' A' ' 90' ' ' GLN . 7.0 t80 -61.97 -37.94 86.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.2 -44.68 96.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.284 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.1 t -65.22 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 8' ' ' LEU . 6.0 m-70 -66.74 -37.51 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -89.24 -5.35 57.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 73.77 54.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' HD2' ' A' ' 103' ' ' LYS . 30.3 mm -110.02 132.05 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.28 146.09 43.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.591 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -147.25 170.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -47.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.34 161.01 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 t -60.01 -31.79 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -44.98 68.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.15 -47.96 81.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.591 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -63.65 -38.79 92.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -40.66 97.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -70.95 -35.21 72.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 92' ' ' ILE . 8.0 tmtm? -63.15 -49.01 76.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.044 HD12 ' HB1' ' A' ' 83' ' ' ALA . 16.4 mt -70.3 -37.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG12 ' HG ' ' A' ' 8' ' ' LEU . 73.5 t -126.2 -81.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.987 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -121.86 172.42 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -179.68 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.82 -56.02 27.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.91 92.52 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 6.5 mt-10 -61.03 -31.68 71.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.35 -45.05 66.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -56.66 -50.55 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.94 -31.25 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 2.8 tt0 -91.07 27.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -119.63 -3.55 10.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.514 HD13 ' CG1' ' A' ' 84' ' ' VAL . 3.3 mt -87.07 130.12 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 91.1 mtt180 -93.69 145.71 24.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 ' CE1' ' A' ' 29' ' ' TYR . 8.5 mt -77.7 -48.83 15.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.11 153.19 38.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.39 0.1 81.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 97.27 167.17 32.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.09 -60.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.21 173.42 12.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 176.15 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.78 ' CE1' HD23 ' A' ' 21' ' ' LEU . 6.5 m-85 -72.62 156.09 39.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -160.93 -176.8 5.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.74 -24.03 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.06 86.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.616 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -71.0 -36.67 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.6 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 54.3 mt -64.44 -42.61 95.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 31' ' ' LEU . 5.1 t -69.52 -35.39 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CH2' HD22 ' A' ' 78' ' ' LEU . 26.0 t90 -63.99 -48.37 76.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 107.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.742 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -64.96 -41.77 95.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 m -57.01 -46.58 82.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -39.54 87.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 37' ' ' ALA . 4.4 mm? -63.11 -51.09 67.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.68 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CB ' HG12 ' A' ' 46' ' ' VAL . 2.1 m-85 -84.85 7.28 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.5 35.53 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -122.3 150.16 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.964 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.9 125.68 87.91 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.21 2.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.07 -35.91 86.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -70.1 -12.23 61.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -77.95 -11.26 59.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 6.3 pt-20 -76.97 -4.99 46.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -113.69 140.2 48.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -57.03 -31.58 65.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -49.07 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.863 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -62.93 -39.09 97.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 85' ' ' LEU . 5.1 t -64.01 -41.06 97.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.93 -35.95 81.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.18 -52.0 65.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -60.4 -42.18 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.718 HD22 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -55.97 -50.08 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 -23.91 75.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -33.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -91.47 -19.68 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.806 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.5 mt-30 -38.78 -55.81 2.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.95 -40.12 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -56.95 -17.58 10.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.4 mt -72.86 -39.91 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 23.7 tt0 -37.77 -53.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -129.3 36.77 4.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.21 173.26 53.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -89.75 168.79 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.41 -42.79 92.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.201 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.16 -44.68 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' HA3' ' A' ' 71' ' ' GLY . 7.9 tt -59.19 -42.08 90.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -61.53 -51.53 68.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -55.88 -35.41 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -65.25 -46.95 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.141 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.1 t80 -57.67 -42.47 83.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.614 ' OD1' HD21 ' A' ' 101' ' ' LEU . 82.7 m-20 -62.04 -47.02 86.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' HE2' ' A' ' 29' ' ' TYR . 40.2 m -60.95 -42.99 99.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.558 HD11 HD21 ' A' ' 41' ' ' LEU . 14.4 mm -61.2 -40.76 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.59 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -59.83 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.9 t -60.83 -39.81 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 85' ' ' LEU . 1.2 tm? -59.03 -44.98 91.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 104' ' ' ILE . 32.1 t80 -61.98 -43.57 98.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.547 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -57.49 -41.83 81.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 84' ' ' VAL . 10.5 t -67.2 -34.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 2.4 m-70 -61.05 -43.19 99.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -87.05 2.67 48.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 64.19 61.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 87' ' ' CYS . 7.1 mt -110.03 121.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.82 128.47 26.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -127.81 171.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -146.27 -47.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -140.96 170.7 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 21' ' ' LEU . 8.9 t -68.78 -37.35 79.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.473 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -38.66 75.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.85 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.45 -38.91 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.614 HD21 ' OD1' ' A' ' 80' ' ' ASN . 1.8 tp -68.95 -39.61 79.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -37.98 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -48.92 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -69.37 -34.93 64.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.819 HG12 HD11 ' A' ' 85' ' ' LEU . 44.0 t -66.34 -54.34 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.424 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.956 HD11 HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -130.68 149.86 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.22 -174.9 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.85 -55.68 27.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -45.12 96.73 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.67 -30.85 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.775 ' HG ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -73.7 -41.55 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -46.16 86.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -43.24 65.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 1.1 t-105 -56.96 -27.47 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.88 22.72 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -2.47 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CG1' ' A' ' 84' ' ' VAL . 4.2 mt -87.47 126.58 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 23' ' ' PRO . 12.3 ptp180 -93.64 136.54 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CE1' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -67.64 -40.76 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.03 151.54 44.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.0 -36.22 2.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 -12.9 51.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.51 -172.33 47.7 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.23 50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.6 100.43 10.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -87.7 135.41 33.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.736 ' HE2' HG23 ' A' ' 81' ' ' THR . 9.6 m-85 -57.52 160.77 3.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 -177.08 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -59.3 -18.8 40.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -68.88 -45.56 70.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.782 ' CE1' HD11 ' A' ' 21' ' ' LEU . 15.5 m170 -71.15 -38.3 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 HD11 ' A' ' 8' ' ' LEU . 31.6 mt -66.97 -39.04 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -65.95 -42.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.535 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 43.7 t90 -63.74 -49.13 74.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -58.96 -40.53 85.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 t -63.15 -39.46 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -43.11 99.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.49 -47.12 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.99 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -57.87 -47.19 83.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.87 -32.89 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -76.72 -19.94 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.693 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 1.2 m-85 -84.59 -8.42 58.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.54 38.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.99 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.13 147.77 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.686 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.95 129.91 79.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -60.88 -41.96 99.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.64 -11.91 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.956 HD22 HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -85.25 -0.82 55.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 9.7 pt-20 -76.63 -20.41 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -89.12 145.58 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 p -56.73 -31.4 64.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -49.09 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.805 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -44.84 92.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -63.97 -41.5 97.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -37.38 82.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.49 65.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 56' ' ' GLY . 3.5 mt -58.9 -46.28 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 79' ' ' TYR . 1.2 mt -55.9 -43.01 76.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.16 -23.94 77.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.5 -41.07 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.05 -16.57 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.2 mt-30 -38.72 -55.36 2.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 -39.7 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 m -56.95 -17.55 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.146 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.3 mt -73.08 -39.95 65.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -36.9 -40.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -145.89 39.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -81.08 172.65 54.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 p -87.04 171.15 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.03 -44.41 97.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 14.1 pt-20 -67.62 -41.59 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.755 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.2 tt -62.26 -41.97 98.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -61.33 -48.84 79.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -40.69 79.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.19 -47.25 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.146 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.0 t80 -57.5 -43.15 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.956 ' OD1' HD11 ' A' ' 101' ' ' LEU . 78.3 m-20 -60.23 -43.06 96.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.736 HG23 ' HE2' ' A' ' 29' ' ' TYR . 86.6 m -60.81 -42.14 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.852 HD11 HD11 ' A' ' 41' ' ' LEU . 31.9 mm -60.0 -45.41 95.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.06 -47.66 80.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 88' ' ' VAL . 41.9 t -59.89 -43.13 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.913 HD23 HD11 ' A' ' 51' ' ' LEU . 45.7 tp -59.57 -44.51 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CD1' HD11 ' A' ' 104' ' ' ILE . 6.6 t80 -61.91 -36.39 81.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.1 m -64.29 -43.81 93.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.2 t -66.13 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 52' ' ' GLU . 17.7 m-70 -62.41 -50.2 72.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' HB2' HD12 ' A' ' 92' ' ' ILE . 28.9 mm-40 -87.06 5.89 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.63 51.85 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -89.66 129.65 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.45 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 92' ' ' ILE . 1.6 m -122.38 171.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -174.06 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.39 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -134.46 159.99 39.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.2 m -69.74 -28.05 65.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 110.429 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -44.98 68.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.499 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 16.8 mm-40 -66.62 -47.78 71.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.65 74.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.956 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -66.65 -31.19 71.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -66.9 -41.41 87.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -65.93 -49.04 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.489 HG13 ' HB1' ' A' ' 83' ' ' ALA . 49.7 mm -61.83 -35.85 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.682 HG12 HD13 ' A' ' 8' ' ' LEU . 1.9 t -74.21 -62.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 13' ' ' LEU . 6.4 mp -112.24 152.57 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -176.81 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.04 25.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.55 -43.49 98.94 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG2' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -60.67 -31.93 71.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.311 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -75.5 -38.23 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.21 -35.32 79.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -83.05 -38.78 22.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -62.75 -30.4 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.62 23.95 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 0.08 9.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 94' ' ' VAL . 2.2 mp -87.34 133.42 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 80.6 mtt-85 -85.62 148.57 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD12 ' HB3' ' A' ' 27' ' ' LYS . 95.0 mt -76.06 -44.37 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.95 153.0 80.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.178 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.98 2.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.45 12.17 64.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.43 -170.89 17.62 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -138.15 47.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.828 ' HB3' HD12 ' A' ' 21' ' ' LEU . 1.3 tttt -123.73 159.55 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 74.3 mt-30 -144.62 175.87 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.708 ' CE1' HD23 ' A' ' 21' ' ' LEU . 13.0 m-85 -86.61 163.01 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.44 -177.62 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -25.57 53.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.17 93.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.621 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -71.26 -35.55 71.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.62 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.6 mm -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.96 -34.99 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.437 ' HH2' ' HG ' ' A' ' 77' ' ' SER . 38.6 t90 -63.91 -49.03 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.781 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -67.12 -40.29 86.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 p -56.91 -48.14 78.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -43.09 98.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.8 -38.05 86.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -64.96 -51.12 63.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -58.57 -32.9 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.09 -26.27 42.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.676 ' CE2' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -84.99 -0.54 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.99 42.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 41' ' ' LEU . 2.1 t -124.99 139.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.568 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.7 t-20 -75.95 131.97 75.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.11 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.87 99.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.04 -11.91 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 41' ' ' LEU . 11.5 tp -77.13 -10.34 59.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 7.3 pt-20 -76.88 -4.96 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -108.52 130.09 55.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -56.73 -27.58 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -49.07 48.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 50' ' ' LEU . . . -62.5 -39.25 97.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.7 t -68.03 -39.06 83.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -68.13 -35.98 78.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -52.09 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 HD11 HD11 ' A' ' 50' ' ' LEU . 22.7 mt -61.24 -49.64 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.653 ' HB2' HG22 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -55.72 -49.38 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.49 -23.94 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.47 -36.4 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.3 mt -88.83 -16.16 32.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -41.56 -54.16 6.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -24.91 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -60.98 -19.61 61.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.072 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 79' ' ' TYR . 1.4 mp -73.01 -32.82 65.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 11.2 tt0 -37.7 -40.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -144.46 39.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 175.21 39.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -88.36 166.75 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.82 -42.99 85.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -44.1 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.1 tt -59.88 -40.38 88.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' A' ' 68' ' ' LEU . 13.6 mtm180 -63.43 -48.78 76.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.437 ' HG ' ' HH2' ' A' ' 36' ' ' TRP . 39.7 t -57.48 -40.01 77.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -61.83 -47.08 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.063 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 t80 -57.02 -43.02 81.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.25 -44.32 97.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 m -61.02 -44.37 97.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.653 HG22 ' HB2' ' A' ' 61' ' ' LEU . 73.8 mt -59.87 -43.91 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -59.92 -34.89 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 8' ' ' LEU . 1.9 tm? -64.29 -44.02 92.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.6 ' CD2' HD11 ' A' ' 104' ' ' ILE . 19.8 t80 -61.9 -42.26 98.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.5 m -63.35 -39.52 94.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 84' ' ' VAL . 62.1 t -62.95 -38.52 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.645 ' CE1' HD12 ' A' ' 8' ' ' LEU . 3.0 m-70 -74.81 -24.73 58.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CD ' ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mt-30 -88.67 -8.16 55.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 76.76 65.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 1.007 HG22 HG13 ' A' ' 94' ' ' VAL . 16.2 mm -110.07 132.18 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.34 84.67 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.007 HG13 HG22 ' A' ' 92' ' ' ILE . 4.0 m -112.25 156.91 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.42 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.33 -0.88 8.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER -159.21 140.21 12.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 21' ' ' LEU . 4.3 t -59.96 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -44.08 93.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.489 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 12.3 mt-10 -68.11 -43.71 77.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.19 -47.91 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.05 -30.86 69.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.98 -40.31 87.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -70.01 -49.03 55.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.6 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.49 -34.94 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 85' ' ' LEU . 22.7 t -126.41 -68.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -133.54 179.54 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -179.61 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.98 -56.1 26.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -44.85 93.35 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 34.3 mm-40 -61.0 -33.77 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -44.94 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.98 -35.86 73.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.36 -37.33 44.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.753 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -61.29 -29.18 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.72 31.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -6.65 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.06 126.44 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 97' ' ' THR . 1.3 mtt85 -80.72 151.98 28.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -85.07 -44.22 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -102.52 153.72 37.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.1 -36.28 2.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -6.05 88.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.42 167.49 21.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.16 -60.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -171.28 -176.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.3 pm0 -129.67 172.93 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.814 ' OH ' HG22 ' A' ' 97' ' ' THR . 5.7 m-30 -59.41 178.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.35 175.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -56.28 -18.91 11.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.18 -45.07 67.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CE1' HD21 ' A' ' 21' ' ' LEU . 43.7 m80 -71.0 -36.87 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.557 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 14.3 mt -69.26 -37.75 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' LEU . 12.1 t -67.64 -40.46 84.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ2' HD12 ' A' ' 78' ' ' LEU . 4.1 t90 -63.95 -48.98 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -60.82 -39.29 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -43.02 99.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 78' ' ' LEU . 2.0 tp10 -58.44 -47.13 84.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 60' ' ' ILE . 3.8 mm? -57.94 -50.39 73.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -32.9 67.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -23.28 43.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CB ' HG12 ' A' ' 46' ' ' VAL . 3.2 m-85 -85.04 12.91 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 59.18 34.06 23.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -125.0 150.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 50' ' ' LEU . 97.1 m-20 -75.92 126.11 87.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -36.26 2.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.24 -24.24 58.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.38 -11.96 47.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HG ' ' A' ' 41' ' ' LEU . 13.2 mt -77.23 -0.89 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.74 -4.92 45.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -124.16 138.67 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' OE1' ' A' ' 90' ' ' GLN . 6.5 p -56.78 -32.72 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -72.62 -37.43 68.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -63.48 -46.88 91.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.584 1.177 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.9 p -68.83 -37.88 79.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -64.11 -38.35 90.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -47.45 69.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.205 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.965 HG21 HD11 ' A' ' 41' ' ' LEU . 41.7 mt -60.72 -50.18 81.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' A' ' 82' ' ' ILE . 2.9 tp -58.05 -36.26 72.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.34 -23.93 72.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.82 -41.18 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.9 pp -91.71 -13.8 31.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.17 -51.88 5.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -28.58 9.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -62.83 -12.98 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.078 HD11 ' CD1' ' A' ' 79' ' ' TYR . 3.9 mt -69.12 -33.51 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.4 tt0 -36.75 -65.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -116.8 38.41 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.45 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -80.45 173.3 54.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.0 p -94.11 167.4 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 0.733 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.14 -43.06 87.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -44.51 79.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD22 ' HA3' ' A' ' 71' ' ' GLY . 2.8 tt -59.61 -40.69 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -61.78 -50.51 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -55.12 -33.93 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.007 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -68.34 -46.87 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.078 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.7 t80 -55.82 -42.82 76.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.698 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.1 OUTLIER -66.21 -43.02 87.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.587 HG22 ' HH2' ' A' ' 16' ' ' TRP . 58.5 m -60.96 -41.6 96.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 61' ' ' LEU . 74.7 mt -65.15 -40.51 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.5 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -61.01 -40.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 8' ' ' LEU . 6.4 tp -59.01 -44.58 91.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 104' ' ' ILE . 20.5 t80 -61.99 -42.98 99.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.474 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -58.33 -41.9 85.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 84' ' ' VAL . 9.3 t -63.13 -42.13 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 85' ' ' LEU . 39.7 m80 -60.76 -35.21 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.541 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -86.98 2.93 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 64.02 52.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 87' ' ' CYS . 9.2 mt -110.09 131.98 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 171.25 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.354 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -146.39 -47.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -141.4 157.48 45.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.814 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.3 p -59.89 -37.58 79.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.82 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -68.03 -38.6 82.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.685 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.72 -37.83 76.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.487 HD12 ' OD1' ' A' ' 80' ' ' ASN . 4.3 mt -68.9 -41.45 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.03 -32.26 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.92 -49.05 66.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.72 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -70.28 -34.97 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.787 HG12 ' HG ' ' A' ' 8' ' ' LEU . 59.7 t -125.89 -78.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.787 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -132.44 174.07 10.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -77.64 -179.45 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.74 -55.91 27.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.66 85.19 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 9.4 mm-40 -61.41 -37.6 84.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -44.96 74.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -56.27 -43.28 78.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -70.95 -40.56 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.755 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -57.07 -30.84 64.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tt0 -90.81 30.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 -3.63 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.11 137.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 5.5 mtt-85 -103.92 145.57 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -80.27 -39.09 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -99.12 151.96 37.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -40.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.8 -9.86 80.16 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 115.28 168.99 15.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.73 -60.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.8 pttt -168.52 158.62 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 3.4 mt-30 -116.78 170.21 8.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.608 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 36.5 m-85 -63.42 169.81 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -179.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.22 -21.87 25.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -67.09 -45.25 77.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.608 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 3.0 mm -66.08 -42.42 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 31' ' ' LEU . 10.6 t -67.56 -37.94 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 40.1 t90 -63.86 -49.13 73.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.776 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.17 -36.09 74.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -41.9 95.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 5.2 tp10 -68.34 -38.57 81.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.992 HD11 HD13 ' A' ' 60' ' ' ILE . 3.6 mm? -57.94 -50.09 74.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -69.64 -21.41 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 2.2 m-85 -84.78 12.65 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.33 32.16 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.805 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -124.96 150.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.758 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 m-20 -75.57 138.02 70.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.5 90.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.005 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.48 -15.14 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.751 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.839 HD22 ' HG ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -90.44 -0.51 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.37 -4.82 44.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -112.04 143.5 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -33.3 66.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -41.94 72.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.05 -39.81 88.73 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.0 t -64.0 -45.03 90.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.6 ttp180 -67.69 -35.96 79.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.3 -51.21 68.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.992 HD13 HD11 ' A' ' 41' ' ' LEU . 25.8 mt -59.03 -50.13 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.1 tp -56.03 -37.33 69.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.37 -23.74 72.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -73.78 -41.1 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 79' ' ' TYR . 1.6 pp -94.66 -10.92 30.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.57 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -38.35 -52.73 3.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -57.08 -17.36 10.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 79' ' ' TYR . 41.7 mt -65.43 -41.7 93.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -36.81 -68.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 t -112.61 36.84 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.25 -176.86 51.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -100.91 166.68 10.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 110.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.3 -42.9 78.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.87 -44.5 76.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.95 -44.01 82.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -60.99 -51.69 68.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -55.28 -34.12 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.061 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -56.96 -43.01 81.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.495 ' CG ' HD11 ' A' ' 101' ' ' LEU . 3.4 m-80 -63.77 -43.9 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 ' HH2' ' A' ' 16' ' ' TRP . 2.0 m -60.79 -46.76 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.539 HG23 ' SG ' ' A' ' 57' ' ' CYS . 73.9 mt -60.1 -41.42 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.17 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.5 t -62.4 -40.85 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.583 HD23 ' CZ3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -58.97 -43.92 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.382 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.711 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.0 t80 -61.84 -45.09 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 m -56.97 -41.25 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 84' ' ' VAL . 11.0 t -66.08 -36.96 78.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 4.8 m-70 -62.0 -39.4 92.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.498 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.0 mt-30 -86.95 -4.99 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.48 56.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -109.97 127.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.04 132.77 54.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.16 157.99 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -130.51 -46.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -140.04 160.73 39.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.0 t -59.99 -45.37 92.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -40.54 94.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.95 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.87 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.495 HD11 ' CG ' ' A' ' 80' ' ' ASN . 13.1 mt -68.97 -48.75 62.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -67.54 -33.04 74.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.03 73.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.711 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -69.81 -34.91 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.4 t -94.23 -74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.052 HD21 ' CG ' ' A' ' 16' ' ' TRP . 1.9 tp -68.52 117.64 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.602 1.189 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -82.56 -175.66 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.17 -62.49 5.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.74 -42.33 87.28 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' CG ' HG12 ' A' ' 88' ' ' VAL . 21.4 mt-10 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.988 HD13 HD23 ' A' ' 8' ' ' LEU . 9.0 tp -75.24 -44.02 48.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.69 -43.24 38.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 1.052 ' CG ' HD21 ' A' ' 8' ' ' LEU . 19.7 t-105 -57.13 -22.85 43.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -90.96 11.26 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -130.25 6.84 4.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 16' ' ' TRP . 92.6 mt -87.37 134.5 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -96.83 156.49 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.021 HD23 ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -95.29 -31.54 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -113.23 152.44 45.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.61 2.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.63 -11.16 68.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 116.8 167.67 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 22.8 tttt 160.75 -60.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -169.66 179.44 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 3.8 pm0 -129.22 178.79 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 1.021 ' CE1' HD23 ' A' ' 21' ' ' LEU . 24.5 m-85 -87.46 151.0 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.58 -177.8 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.33 -19.0 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -45.57 69.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 33' ' ' HIS . 8.2 m170 -71.45 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.759 HG13 HD22 ' A' ' 8' ' ' LEU . 3.2 mm -67.48 -42.23 86.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 31' ' ' LEU . 24.9 t -65.69 -40.34 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CH2' HD12 ' A' ' 78' ' ' LEU . 46.8 t90 -63.91 -49.17 73.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.667 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.91 -36.93 80.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -66.3 -40.12 89.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.7 tp10 -66.54 -39.72 88.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 60' ' ' ILE . 3.1 mm? -57.92 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -33.47 76.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -23.92 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.2 m-85 -85.02 12.2 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 68.14 9.58 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 41' ' ' LEU . 12.0 p -107.76 150.17 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.67 129.92 80.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.25 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.97 -21.61 53.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -65.33 -12.01 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 60' ' ' ILE . 46.6 mt -77.97 -0.45 27.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 6' ' ' SER . 10.4 pt-20 -76.25 -4.73 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -122.34 131.54 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -30.3 63.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.61 -49.05 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.38 95.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 13.1 p -64.27 -40.08 95.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -59.91 -38.98 83.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.65 -47.74 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.199 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 41' ' ' LEU . 74.3 mt -58.99 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -56.03 -44.14 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.54 -23.8 77.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -41.04 68.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 64' ' ' LEU . 6.1 mt -90.01 -14.92 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -40.26 -52.04 5.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.0 -33.7 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.528 ' OG ' HD21 ' A' ' 75' ' ' LEU . 24.5 p -56.9 -17.37 9.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' A' ' 79' ' ' TYR . 65.7 mt -67.09 -41.87 85.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.0 mm-40 -35.33 -67.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -116.6 40.01 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.519 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.67 172.34 46.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.08 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 p -93.19 168.76 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.77 -42.97 90.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.85 -44.56 80.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD21 ' OG ' ' A' ' 67' ' ' SER . 7.1 tt -59.52 -40.51 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.523 ' HG2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.38 -51.52 68.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -55.76 -35.97 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -64.41 -47.3 79.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.042 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -57.27 -42.27 81.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 4.6 m-80 -62.9 -43.35 99.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.518 HG23 ' HE2' ' A' ' 29' ' ' TYR . 8.0 m -60.72 -41.46 95.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.521 HG22 ' HG ' ' A' ' 61' ' ' LEU . 49.2 mt -63.34 -43.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -59.35 -39.05 81.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.013 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.3 t -67.27 -40.84 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 51' ' ' LEU . 1.1 tm? -62.81 -32.85 74.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -71.73 -45.11 62.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG21 ' A' ' 94' ' ' VAL . 5.4 p -63.26 -30.96 72.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.9 t -71.81 -43.98 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 51' ' ' LEU . 2.1 m-70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.443 ' CB ' HD12 ' A' ' 92' ' ' ILE . 4.3 mm-40 -87.03 -15.99 37.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 69.5 52.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mt -95.36 122.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.62 101.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.808 HG21 ' SG ' ' A' ' 87' ' ' CYS . 20.0 m -149.64 157.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 23.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -161.34 137.36 8.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.5 t -59.9 -41.9 92.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -45.04 92.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -65.65 -32.13 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.365 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.27 81.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 13.9 mt -64.6 -39.38 93.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.02 -38.18 90.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -49.0 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.653 HD12 ' HB1' ' A' ' 83' ' ' ALA . 25.6 mt -61.41 -39.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.79 ' CG1' HD11 ' A' ' 85' ' ' LEU . 2.4 t -150.38 -79.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.022 HD11 HD12 ' A' ' 85' ' ' LEU . 5.3 mt -102.07 140.38 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -74.51 -176.9 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.65 -57.21 20.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.98 97.21 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.75 -31.02 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.352 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.05 -45.02 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.78 -41.58 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.733 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.8 -32.78 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 108.07 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.6 tt0 -90.14 33.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.69 -6.71 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 16' ' ' TRP . 1.8 mt -87.96 139.83 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 3.2 ptp180 -94.54 149.91 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.266 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.5 mt -77.57 -44.58 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -118.36 155.61 51.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.1 Cg_endo -75.02 -35.44 3.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 0.42 30.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.52 -169.97 46.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.28 47.52 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 10.1 mttt -123.12 149.06 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.211 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' C ' HD21 ' A' ' 21' ' ' LEU . 8.8 mt-30 -140.24 167.25 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -70.74 161.38 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -170.05 174.62 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.14 -22.44 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.37 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -71.22 -35.93 71.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 11.2 mt -66.76 -38.74 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.0 t -69.27 -39.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.714 ' CE2' HD12 ' A' ' 78' ' ' LEU . 2.9 t90 -63.75 -49.22 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.22 -36.05 80.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -60.92 -45.69 93.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.11 99.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 44' ' ' PHE . 3.9 tp10 -57.1 -47.87 80.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 60' ' ' ILE . 2.7 mp -57.95 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.2 -33.03 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -80.01 -21.22 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.63 -8.99 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.64 41.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.0 p -125.0 147.6 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.953 ' CB ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.85 128.78 82.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.91 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.54 -38.37 94.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.953 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -67.96 -16.25 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.2 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD22 HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.67 -9.09 52.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.91 -4.91 46.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -112.53 133.86 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -29.18 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.44 -46.94 65.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.752 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -60.98 -42.46 99.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 85' ' ' LEU . 45.5 t -63.85 -43.43 96.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.33 -39.14 86.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -46.02 86.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 41' ' ' LEU . 11.4 mt -58.95 -50.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.9 -36.05 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -26.17 71.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.04 -38.13 61.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 68' ' ' LEU . 10.3 mt -88.94 -16.88 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -52.88 2.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -59.68 -25.87 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.47 -34.58 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.1 tt0 -36.29 -68.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -113.73 44.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.73 172.38 51.86 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.7 p -94.07 169.28 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -59.28 -43.02 92.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -44.36 78.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 68' ' ' LEU . 10.3 tt -61.4 -35.0 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -51.66 57.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.436 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 29.3 t -55.0 -38.46 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -65.13 -45.79 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' A' ' 68' ' ' LEU . 78.1 t80 -55.98 -43.09 77.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.519 ' HB3' HG22 ' A' ' 97' ' ' THR . 3.3 m-20 -65.1 -42.1 94.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.475 HG22 ' HH2' ' A' ' 16' ' ' TRP . 94.3 m -62.56 -41.87 99.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.84 -47.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -43.61 81.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.926 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.4 t -59.97 -41.54 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.022 HD12 HD11 ' A' ' 8' ' ' LEU . 5.5 tp -58.93 -46.05 88.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -61.99 -36.88 82.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.4 m -63.38 -41.54 98.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -67.99 -33.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 45.1 m-70 -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.626 ' HB3' HD12 ' A' ' 92' ' ' ILE . 22.6 tp60 -88.93 -15.93 33.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.9 52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -109.19 131.95 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.4 125.72 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 19' ' ' ILE . 1.4 m -123.42 171.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -146.03 -61.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.24 161.77 23.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.621 HG23 ' OH ' ' A' ' 29' ' ' TYR . 2.2 m -59.96 -37.01 78.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.15 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.404 ' CD ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -65.91 -32.02 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.613 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -65.33 -50.1 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 101' ' ' LEU . 1.5 mt -69.03 -30.99 69.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -68.44 -41.23 80.6 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.06 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.998 HD12 ' HB1' ' A' ' 83' ' ' ALA . 20.2 mt -63.74 -35.18 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.556 HG12 ' HG ' ' A' ' 8' ' ' LEU . 3.2 t -134.41 -75.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -132.35 179.08 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -86.5 -179.3 6.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.63 -55.98 27.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.25 88.8 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 47.0 mt-10 -61.01 -31.59 71.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.42 -45.04 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -28.58 64.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -69.09 -33.2 73.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.028 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -90.76 31.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -118.1 -5.81 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.224 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.16 125.81 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -86.22 146.86 26.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.6 -40.35 49.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -107.96 152.97 41.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.05 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.01 -6.43 88.91 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.99 167.04 21.48 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.04 -60.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.63 179.69 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.0 169.92 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.567 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 3.3 m-85 -60.78 167.17 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 176.08 5.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.51 -25.47 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -45.21 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 2.2 m-70 -71.05 -35.96 72.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.631 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 15.1 mt -62.85 -44.67 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -72.17 -30.86 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.407 ' CH2' ' HB3' ' A' ' 77' ' ' SER . 59.5 t90 -65.64 -45.67 82.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.77 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -68.58 -49.27 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -56.95 -35.12 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -70.59 -43.04 70.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HG2' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -60.64 -50.18 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 37' ' ' ALA . 3.4 mp -58.09 -51.13 70.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -56.07 -33.03 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -23.85 42.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 3.2 m-85 -84.93 11.73 8.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 72.18 14.88 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.62 150.08 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.831 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.8 m-80 -76.06 137.67 68.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -65.8 -25.68 71.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.084 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -65.64 -15.48 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.9 tp -92.65 -0.9 57.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 6.2 pt-20 -76.93 -4.89 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 52' ' ' GLU . 11.5 p -115.61 139.0 50.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -56.93 -31.69 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.38 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.078 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.18 -35.35 91.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HG23 ' A' ' 82' ' ' ILE . 45.2 t -66.5 -45.05 80.85 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.3 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.17 -48.61 81.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.084 HD11 HD11 ' A' ' 50' ' ' LEU . 3.4 mt -58.9 -44.87 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.778 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -54.84 -44.64 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.2 -22.73 78.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.37 -41.24 76.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.99 -11.83 25.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -36.93 -55.74 1.55 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.12 -34.05 4.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.475 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 3.4 t -56.85 -17.43 9.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.131 HD11 ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.1 -40.45 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.2 mm-40 -38.15 -42.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -141.81 34.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -78.19 172.77 55.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -88.84 170.42 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.67 94.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -44.7 75.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 71' ' ' GLY . 1.1 tt -59.59 -42.15 91.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -60.93 -50.97 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -55.13 -34.31 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.804 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -66.9 -47.38 71.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.131 ' CD1' HD11 ' A' ' 68' ' ' LEU . 10.0 t80 -56.75 -41.06 76.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.566 ' OD1' HD11 ' A' ' 101' ' ' LEU . 41.0 m-20 -65.28 -44.86 86.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -60.86 -42.34 97.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.778 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.5 mm -61.32 -44.02 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.757 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -48.43 78.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.411 1.07 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.922 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t -62.82 -38.12 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.582 HD21 ' HG ' ' A' ' 51' ' ' LEU . 61.7 tp -59.99 -49.99 75.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.04 -34.95 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 25.9 t -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 84' ' ' VAL . 4.6 t -65.95 -35.5 75.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.523 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 76.2 m-70 -67.77 -29.91 69.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 92' ' ' ILE . 5.1 mm-40 -90.08 -16.18 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 67.22 51.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 90' ' ' GLN . 7.7 mt -109.39 132.07 58.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.78 138.76 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -149.62 171.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -47.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -134.02 173.72 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 6.0 t -65.83 -44.2 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -45.02 96.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.23 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.0 -44.85 91.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.72 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -58.02 -42.22 84.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -31.94 73.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -32.81 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.757 HD12 ' HB1' ' A' ' 83' ' ' ALA . 62.6 mt -75.09 -37.83 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.584 HG12 HD23 ' A' ' 8' ' ' LEU . 2.2 t -104.57 -69.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -129.24 -176.07 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.63 -177.8 5.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -59.12 11.38 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.501 1.125 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.5 -48.44 55.13 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.4 mt-10 -60.79 -30.92 70.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' OE1' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -68.23 -45.14 74.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.221 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -68.94 -30.36 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.762 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -69.6 -28.16 65.7 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' OE1' HD12 ' A' ' 13' ' ' LEU . 3.8 mt-10 -90.1 31.0 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -4.89 10.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.23 121.14 37.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -84.63 140.2 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 33' ' ' HIS . 14.2 mt -69.93 -43.71 71.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CD ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -95.46 153.42 39.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.754 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 -16.24 66.41 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.72 168.47 13.62 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' CE ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 161.45 -60.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -168.19 169.46 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -119.79 164.2 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' A' ' 97' ' ' THR . 4.9 m-30 -51.03 177.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -179.17 174.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.45 -19.84 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -45.19 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CE1' HD11 ' A' ' 21' ' ' LEU . 52.3 m80 -71.21 -35.85 71.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 9.4 mt -66.76 -36.81 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.7 -38.91 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CH2' HD22 ' A' ' 78' ' ' LEU . 24.0 t90 -65.18 -45.37 85.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 107.952 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -57.85 -50.43 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 p -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -42.99 99.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 13.0 tp10 -66.59 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.912 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -63.34 -51.05 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -32.96 74.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -22.99 58.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.673 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.83 -4.22 58.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.73 18.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.6 p -111.57 150.06 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.983 ' O ' HD12 ' A' ' 50' ' ' LEU . 12.3 m-20 -76.23 137.63 68.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -36.84 90.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.036 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.3 -11.75 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.912 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.16 -0.71 57.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.2 pt-20 -78.5 -4.84 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.4 p -115.12 139.33 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -32.4 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.5 74.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.766 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -65.57 -40.29 95.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.3 t -64.02 -45.13 90.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 1.7 tmt_? -61.4 -37.35 83.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -46.73 85.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.96 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 mt -58.83 -49.03 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 79' ' ' TYR . 13.2 tp -55.97 -40.14 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.77 -27.1 72.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -37.5 67.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' GLN . 12.2 mt -88.75 -17.11 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -38.05 -53.47 2.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.95 -37.9 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -56.89 -17.63 10.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 79' ' ' TYR . 81.6 mt -63.5 -42.21 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -36.5 -68.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 t -113.54 37.4 3.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.28 172.87 54.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.564 1.165 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -94.47 167.83 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -58.58 -42.73 88.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.41 -44.48 78.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.14 -42.07 85.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.92 -50.45 72.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -56.24 -36.2 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.876 HD12 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.87 -47.17 78.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 68' ' ' LEU . 65.9 t80 -56.75 -43.02 80.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.65 -47.37 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' HH2' ' A' ' 16' ' ' TRP . 12.1 m -60.72 -41.55 95.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.876 HD11 HD12 ' A' ' 78' ' ' LEU . 21.5 mt -60.0 -45.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.02 76.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.2 t -60.02 -36.81 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -58.94 -46.93 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.681 ' CD2' HD11 ' A' ' 104' ' ' ILE . 68.3 t80 -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.639 ' SG ' HD13 ' A' ' 104' ' ' ILE . 83.8 m -57.15 -38.2 73.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.7 t -73.07 -40.08 58.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.81 ' CE1' HD22 ' A' ' 85' ' ' LEU . 40.9 m80 -65.63 -21.45 66.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.2 mm-40 -106.11 -3.74 21.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.14 56.43 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -103.99 131.99 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -47.0 117.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.6 m -128.58 171.28 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -163.55 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.439 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 1.7 p-10 -138.79 158.79 43.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' OH ' ' A' ' 29' ' ' TYR . 37.8 p -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -41.74 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 95' ' ' LYS . 34.7 tp10 -68.01 -32.36 72.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.845 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.04 -49.99 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 79' ' ' TYR . 6.3 tp -65.6 -34.3 77.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.07 -42.05 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -49.07 76.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -66.46 -35.01 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 ' CD2' ' A' ' 8' ' ' LEU . 3.3 t -121.31 -73.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.78 ' HG ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -130.69 171.2 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -176.67 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.07 -60.32 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.1 -49.45 43.18 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -60.91 -30.73 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.68 -45.26 79.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -43.87 97.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -71.28 -24.89 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.701 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.7 t-105 -68.01 -42.25 80.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.22 40.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.59 -12.21 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 4.1 mtt-85 -86.57 151.68 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' LYS . 38.1 mt -81.0 -35.97 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.35 153.25 81.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -35.99 2.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.65 -0.3 42.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.39 -170.59 43.71 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 47.06 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.826 ' HB3' HD12 ' A' ' 21' ' ' LEU . 5.6 mttt -126.43 160.38 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.8 -179.17 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.1 m-85 -70.47 152.87 43.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -162.57 175.06 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -57.08 -23.12 44.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -64.35 -45.57 87.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.615 ' CE1' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -71.2 -35.63 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 10.4 mt -66.36 -37.53 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.5 t -70.46 -40.01 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CH2' HD12 ' A' ' 78' ' ' LEU . 44.7 t90 -63.71 -49.16 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -60.77 -46.24 91.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -56.72 -42.99 80.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -39.71 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HG2' HD13 ' A' ' 78' ' ' LEU . 3.9 tp10 -67.42 -38.06 84.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.8 mm? -61.17 -51.21 70.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.86 -40.98 90.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.06 -23.55 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.2 m-85 -84.92 1.64 46.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.13 21.17 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 44' ' ' PHE . 27.9 t -96.96 150.13 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -75.73 124.07 88.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.08 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.1 96.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.46 -15.76 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.721 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 60' ' ' ILE . 10.7 tp -81.57 -2.72 51.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -81.02 -4.93 56.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 p -112.84 143.87 43.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.4 p -56.87 -33.37 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.9 -49.01 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.83 -44.59 94.22 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.804 ' SG ' HD23 ' A' ' 85' ' ' LEU . 44.7 t -63.94 -37.43 87.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -40.03 87.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -52.05 66.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.715 HD13 HD13 ' A' ' 51' ' ' LEU . 5.3 mt -59.22 -40.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.75 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.99 -47.04 78.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -23.89 77.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -36.45 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 64' ' ' LEU . 5.4 mt -95.19 -16.24 22.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm-40 -38.35 -53.31 3.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -33.34 4.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -57.1 -17.3 10.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 ' CD1' ' A' ' 79' ' ' TYR . 22.4 mt -71.27 -40.55 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 tp60 -36.35 -40.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 t -146.72 40.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.86 172.77 50.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.39 167.63 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.83 -43.11 85.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.2 -44.56 79.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.077 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.9 tt -59.31 -41.56 89.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -61.14 -50.62 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -34.57 64.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -66.97 -47.08 72.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD11 ' A' ' 68' ' ' LEU . 20.7 t80 -56.97 -40.39 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.521 ' ND2' ' HG ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -65.14 -46.66 80.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.525 HG22 ' HH2' ' A' ' 16' ' ' TRP . 28.6 m -60.87 -40.96 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' SG ' ' A' ' 57' ' ' CYS . 44.1 mt -61.73 -44.1 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.13 -49.15 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.756 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.4 t -63.89 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.804 HD23 ' SG ' ' A' ' 57' ' ' CYS . 23.8 tp -58.95 -37.24 76.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' A' ' 104' ' ' ILE . 41.4 t80 -76.05 -35.58 59.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' ILE . 46.3 m -59.03 -42.7 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 108.4 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.13 -47.25 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 14.7 m170 -55.19 -25.6 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.532 ' CB ' HD12 ' A' ' 92' ' ' ILE . 5.4 mm100 -96.23 -16.29 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.0 ttm180 81.12 51.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.532 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.1 mt -110.08 132.08 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.79 145.08 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.54 171.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -47.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 0.0 109.287 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.493 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -131.98 154.97 48.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.5 t -59.99 -32.68 71.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.57 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.493 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 mm-40 -64.16 -38.36 90.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.595 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.14 -35.65 71.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.855 HD21 ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -67.87 -45.3 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.02 -31.95 68.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.04 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.721 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -71.53 -36.86 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.252 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.41 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . 1.3 m . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.841 HG12 ' HG ' ' A' ' 8' ' ' LEU . 76.3 t -136.37 -51.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -143.85 135.44 26.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -51.38 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.52 -56.96 22.3 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.533 1.146 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.51 97.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 2.1 mm-40 -60.86 -30.92 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.64 -45.1 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.1 -48.33 82.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.49 80.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.658 ' HB2' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -56.95 -39.75 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.95 36.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -115.64 -9.41 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' GLN . 3.7 mp -86.97 143.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.363 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -101.62 150.37 23.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 33' ' ' HIS . 6.4 mt -83.16 -37.31 23.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -104.34 152.42 39.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.43 2.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.2 -9.64 72.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 114.59 168.34 15.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 tttt 161.31 -60.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.2 167.89 13.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.238 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 pm0 -123.26 168.07 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.771 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -58.82 167.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 179.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.05 -24.99 27.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.59 -45.01 88.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 21' ' ' LEU . 54.9 m80 -70.7 -35.97 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 42.5 mt -66.98 -36.38 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 31' ' ' LEU . 29.8 t -71.18 -39.99 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 41.1 t90 -64.0 -49.04 74.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -59.75 -51.21 70.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 p -56.95 -33.17 66.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -67.66 -43.03 81.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -67.41 -46.97 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.062 HD11 HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -60.73 -50.39 73.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.96 -42.86 72.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -72.36 -23.66 61.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.9 m-85 -84.95 -9.08 58.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.02 44.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.03 147.46 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 13.3 m-20 -76.01 126.27 87.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.06 -38.21 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.88 -19.5 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.15 -20.79 64.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 0.723 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 48' ' ' PRO . 2.0 mt -79.09 -0.96 33.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 37.8 tt0 -76.94 -4.96 46.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -125.05 141.24 52.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 25.6 p -57.28 -32.77 66.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.17 -49.12 63.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -56.74 -44.34 91.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.04 -41.85 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 5.7 ttp180 -62.11 -40.35 95.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.369 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.99 -52.06 66.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 41' ' ' LEU . 21.1 mt -59.75 -47.78 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -55.94 -42.76 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.85 73.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -72.52 -27.89 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.9 mt -91.95 -21.33 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -55.57 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -56.72 -35.09 68.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.18 -31.62 72.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LEU . 21.2 tm0? -34.21 -40.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -150.42 42.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.713 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.15 170.62 49.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 p -88.0 171.56 10.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.3 -42.57 95.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 -44.32 75.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.713 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.0 tt -61.11 -35.12 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.557 ' CG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.17 -48.31 68.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 t -54.87 -47.16 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -59.64 -47.05 87.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 1.7 t80 -58.31 -42.32 86.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.799 ' HA ' HD21 ' A' ' 101' ' ' LEU . 5.3 m-20 -59.72 -44.49 93.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' HH2' ' A' ' 16' ' ' TRP . 34.8 m -60.77 -41.48 95.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.062 HD11 HD11 ' A' ' 41' ' ' LEU . 6.5 mm -61.38 -46.23 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.79 -43.78 81.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.3 t -62.57 -37.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 8' ' ' LEU . 1.3 tm? -62.78 -38.1 89.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 17.0 t80 -76.2 -35.58 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -39.9 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.17 -47.16 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.867 ' CE1' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -53.14 -39.79 63.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.88 -16.28 36.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 72.96 61.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.7 mt -110.18 126.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -41.66 125.44 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 92' ' ' ILE . 3.9 m -145.31 171.31 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -157.1 -45.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.46 164.74 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -59.96 -33.95 72.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.162 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -40.31 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -47.98 83.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.99 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -64.53 -45.0 89.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -71.12 -37.34 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.5 HD11 ' HD2' ' A' ' 86' ' ' TYR . 3.5 mm -69.04 -34.91 66.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.733 HG12 HD13 ' A' ' 8' ' ' LEU . 3.0 t -147.42 -80.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 7' ' ' VAL . 4.9 mp -107.4 144.89 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -66.7 -175.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.994 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.48 -58.41 14.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.19 -38.75 88.2 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.75 -37.15 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -72.17 -45.23 61.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.2 -33.5 67.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.97 -39.53 29.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.786 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.7 -31.58 64.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HG3' HD13 ' A' ' 13' ' ' LEU . 21.9 mt-10 -88.95 29.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -2.83 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.9 mp -87.96 126.19 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 7.4 ptt180 -84.91 146.68 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 27' ' ' LYS . 17.9 mt -74.67 -35.39 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -128.83 153.83 79.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.37 3.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.18 -0.36 31.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.49 -168.22 44.43 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -138.58 48.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.774 ' CB ' HD12 ' A' ' 21' ' ' LEU . 13.0 mtmt -125.85 150.13 48.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -145.79 165.88 27.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 84' ' ' VAL . 4.2 m-30 -71.0 165.69 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.29 175.14 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -19.08 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -45.02 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -70.77 -35.42 72.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mm -63.17 -45.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.81 -34.0 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 31.8 t90 -63.79 -49.18 73.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.528 1.143 . . . . 0.0 108.084 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -64.44 -43.99 92.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -44.23 82.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -62.97 -43.0 99.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -57.07 -50.05 73.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.245 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 82' ' ' ILE . 2.5 mp -58.83 -51.08 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.88 -32.88 66.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -79.79 -23.08 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.3 m-85 -84.85 11.84 8.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.63 35.18 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 44' ' ' PHE . 3.0 t -124.73 150.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.749 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.1 m-20 -75.65 138.21 70.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.95 -30.09 77.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.51 -16.2 63.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.757 ' N ' HD13 ' A' ' 50' ' ' LEU . 37.9 tp -91.96 -0.75 57.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 6' ' ' SER . 4.8 pt-20 -76.59 -4.87 45.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 p -113.36 145.94 40.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 5.6 p -56.91 -34.35 67.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.11 -48.88 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.833 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.75 -39.23 95.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' A' ' 51' ' ' LEU . 1.8 t -63.92 -42.97 97.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -67.53 -35.94 80.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -65.17 -52.08 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -58.93 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 83' ' ' ALA . 14.3 tp -56.03 -38.98 71.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.04 -23.94 73.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -72.27 -40.83 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.298 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.5 mt -91.25 -16.79 27.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.836 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.37 -52.79 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.04 -39.33 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.772 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -15.71 18.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.101 HD11 ' CD1' ' A' ' 79' ' ' TYR . 11.0 mt -73.04 -37.21 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -43.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.6 p -139.44 41.89 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 75' ' ' LEU . . . -84.15 173.38 50.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.445 1.09 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 p -87.97 171.1 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -44.35 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 16.3 pt-20 -67.63 -41.86 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' CD2' ' HA3' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -49.26 78.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -55.89 -39.2 71.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -62.64 -47.12 85.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.101 ' CD1' HD11 ' A' ' 68' ' ' LEU . 7.7 t80 -57.95 -39.03 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.72 ' ND2' HD12 ' A' ' 101' ' ' LEU . 12.4 t-20 -63.76 -46.7 84.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.778 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.1 m -60.97 -42.78 98.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 41' ' ' LEU . 17.2 mm -61.23 -47.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.87 -45.59 82.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.902 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.1 t -62.43 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.647 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 2.6 tm? -59.24 -44.12 92.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 104' ' ' ILE . 38.4 t80 -61.94 -40.25 94.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.479 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.3 m -60.42 -45.0 95.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 108.378 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.9 t -64.78 -33.03 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m-70 -61.29 -49.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 3.09 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.71 63.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' CYS . 4.4 mt -106.74 132.03 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.3 122.27 9.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.424 ' C ' ' CE ' ' A' ' 95' ' ' LYS . 3.5 m -136.39 155.46 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' CE ' ' C ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -142.79 -47.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 1.8 p-10 -135.05 156.52 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 p -59.68 -32.24 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -70.07 -44.98 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.08 -33.39 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.528 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.84 -50.06 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.72 HD12 ' ND2' ' A' ' 80' ' ' ASN . 9.2 mt -65.9 -32.93 74.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -71.09 -41.97 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -49.08 71.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.664 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -65.21 -35.08 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.579 HG12 HD12 ' A' ' 8' ' ' LEU . 2.6 t -65.32 -55.46 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -117.29 125.88 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -72.65 -173.35 1.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.69 -57.73 18.26 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.93 -42.35 92.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -75.26 -45.18 41.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.61 -39.8 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -41.6 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.784 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -56.98 -32.71 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 107.914 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.42 31.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -7.1 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.24 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 65.6 mtm-85 -84.67 149.64 25.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 27' ' ' LYS . 89.6 mt -80.45 -39.27 28.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 152.12 79.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -36.17 2.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.29 -0.62 50.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.1 -171.62 36.91 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.6 45.68 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.38 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HB3' HD12 ' A' ' 21' ' ' LEU . 17.2 mmtt -120.23 164.19 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.62 -179.05 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.2 m-85 -78.51 157.61 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.42 179.74 5.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -19.96 26.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -45.46 73.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.602 ' NE2' HD11 ' A' ' 21' ' ' LEU . 84.0 m-70 -71.02 -35.92 72.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.549 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 16' ' ' TRP . 82.6 mt -66.58 -44.13 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.82 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.831 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 44.0 t90 -63.76 -49.03 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -58.95 -37.52 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -41.05 97.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.09 -49.76 70.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -57.97 -45.96 85.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.4 -35.9 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -19.45 52.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.688 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -84.72 -8.88 58.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.33 32.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.0 p -123.42 150.19 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.75 136.25 70.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.52 56.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.01 -13.7 38.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.887 HD21 HD13 ' A' ' 60' ' ' ILE . 78.3 mt -81.77 -0.26 42.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 58.0 tt0 -76.05 -4.99 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 p -121.33 135.99 55.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -56.71 -31.21 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.38 -44.8 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.807 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.76 -45.34 96.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.64 -37.18 84.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 3.9 ttp180 -65.66 -36.25 83.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.84 -50.45 62.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.887 HD13 HD21 ' A' ' 51' ' ' LEU . 3.8 mt -58.81 -44.41 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.709 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.91 -49.54 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.08 -24.02 73.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.617 1.198 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.29 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -89.75 -16.84 29.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.04 -52.07 5.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.99 -35.33 3.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.0 m -56.89 -18.49 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.944 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 79' ' ' TYR . 10.5 mt -73.16 -39.53 65.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -36.0 -40.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 t -147.19 41.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.7 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.75 172.73 46.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -89.04 168.9 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -43.41 90.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -43.96 81.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.3 tt -60.46 -40.77 92.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.8 -47.9 83.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 1.5 t -57.06 -40.29 76.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.831 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -61.8 -47.19 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.113 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.6 t80 -56.17 -42.97 77.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.784 HG22 ' HH2' ' A' ' 16' ' ' TRP . 1.7 m -60.49 -42.9 97.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 61' ' ' LEU . 24.2 mm -61.06 -44.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.586 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.72 -44.49 81.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.7 t -65.17 -33.16 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.795 HD13 HD11 ' A' ' 8' ' ' LEU . 28.9 tp -66.63 -33.73 76.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.684 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.6 t80 -76.56 -41.34 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.711 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.9 p -59.85 -41.1 90.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.483 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -73.31 -47.27 47.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.681 ' NE2' HD11 ' A' ' 85' ' ' LEU . 5.1 m-70 -56.66 -24.83 51.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -98.34 -16.07 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 76.36 52.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 10.0 mt -106.78 120.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -41.77 135.76 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.711 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -139.8 171.31 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -148.36 -46.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 165.24 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 t -59.99 -36.28 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -70.07 -42.42 72.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.28 -32.03 72.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.85 -48.26 63.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HE2' ' A' ' 79' ' ' TYR . 7.2 tp -68.94 -31.73 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.09 -41.35 70.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -47.39 79.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.684 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -67.02 -35.07 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.674 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.8 t -141.35 -81.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 89' ' ' HIS . 2.7 mt -118.58 151.17 38.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -70.78 -174.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -57.94 17.2 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.05 -44.81 96.76 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -30.64 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.71 -45.07 60.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.22 -45.42 93.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -29.78 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.76 ' HH2' HG22 ' A' ' 81' ' ' THR . 1.3 t-105 -65.44 -37.17 86.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.76 34.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -116.99 -8.34 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.3 mp -87.41 138.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 29.7 mtt180 -93.11 152.45 19.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.823 HD12 ' CB ' ' A' ' 27' ' ' LYS . 21.3 mt -82.93 -37.35 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -130.62 152.31 80.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -36.18 2.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.76 -4.16 52.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.04 -170.85 45.44 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -138.53 47.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 0.723 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' CB ' HD12 ' A' ' 21' ' ' LEU . 11.7 mtpt -119.33 144.07 47.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -134.56 164.47 27.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.594 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -67.13 163.96 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.9 173.29 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.226 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.19 -22.31 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.69 -45.28 83.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 21' ' ' LEU . 41.9 m80 -71.26 -35.62 71.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.6 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 7.1 mt -68.25 -33.65 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.3 t -72.06 -42.7 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.99 -49.12 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -61.74 -43.66 98.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -56.85 -42.87 80.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -63.6 -42.97 98.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.761 ' HB3' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -57.71 -48.18 80.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 2.6 mm? -57.81 -51.0 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.18 -34.26 63.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -23.8 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 5.2 m-85 -85.02 -0.22 53.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.68 45.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.05 145.76 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.548 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.4 t-20 -75.94 125.32 88.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.66 93.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -70.01 -19.75 63.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 ' HB2' HD11 ' A' ' 60' ' ' ILE . 8.3 tp -83.45 -0.65 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -76.79 -4.92 45.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.6 p -114.22 150.52 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 6.7 p -57.0 -36.42 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.16 73.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.94 92.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 46.6 t -63.9 -44.97 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.1 ttt180 -61.27 -42.72 99.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.01 -47.53 82.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 51' ' ' LEU . 20.6 mt -58.9 -44.99 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 15.4 tp -55.04 -43.57 73.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 65' ' ' GLN . . . -73.98 -23.01 77.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.27 -41.39 76.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.534 ' CD2' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -97.62 -10.0 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.92 -56.16 0.89 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 -32.55 5.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 64' ' ' LEU . 73.8 m -56.57 -21.43 26.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.41 -42.22 99.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -36.1 -65.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.423 ' CG2' ' OE1' ' A' ' 69' ' ' GLN . 4.7 p -117.33 37.03 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.22 171.44 54.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 171.46 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.84 -42.45 97.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.38 -44.04 79.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.2 tt -60.31 -36.11 77.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.48 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -40.92 85.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.56 -44.46 86.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 68' ' ' LEU . 54.7 t80 -55.79 -43.05 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.77 -43.45 88.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.76 HG22 ' HH2' ' A' ' 16' ' ' TRP . 5.3 m -60.69 -41.74 95.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.676 HG23 ' SG ' ' A' ' 57' ' ' CYS . 16.7 mm -64.27 -41.49 92.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.13 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.706 HG21 HG21 ' A' ' 19' ' ' ILE . 2.6 t -65.29 -31.05 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 ' CE3' ' A' ' 16' ' ' TRP . 4.3 tp -68.21 -31.26 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 88.4 t80 -76.53 -43.13 40.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.717 ' SG ' HG11 ' A' ' 94' ' ' VAL . 8.5 p -61.1 -40.62 94.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -71.98 -47.12 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 8' ' ' LEU . 24.3 m-70 -54.17 -30.95 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -90.24 -16.37 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.6 mtp180 82.73 51.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -110.24 132.06 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -56.98 142.56 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.717 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -146.03 171.27 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -46.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.1 p -59.85 -28.01 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.08 -45.04 78.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -43.49 79.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -57.64 -49.98 74.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.203 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.4 tp -62.95 -35.49 80.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.33 -33.69 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -70.14 -47.83 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 25.8 mm -56.97 -43.05 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 85' ' ' LEU . 27.2 t -128.59 -46.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.97 HD12 ' HB3' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -160.15 161.79 33.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -58.77 173.32 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -54.74 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.81 -46.34 18.95 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.97 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.5 mp0 -69.32 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.361 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -60.11 -45.1 94.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -49.94 52.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -27.12 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -79.0 -41.29 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 107.995 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 30.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 -7.0 11.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.1 mt -87.57 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -88.47 153.47 21.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' A' ' 27' ' ' LYS . 55.2 mt -83.12 -40.5 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.1 mtt85 -120.14 153.99 55.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.99 -35.72 2.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 3.54 27.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.86 -170.89 43.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 44.54 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -120.01 161.04 21.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 6.8 pt20 -160.08 -179.13 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.94 177.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.0 -25.87 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -45.05 93.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 75.6 m-70 -70.66 -35.65 72.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.534 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 17.8 mt -66.42 -37.07 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 31' ' ' LEU . 12.8 t -71.13 -39.78 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -63.86 -49.02 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 108.0 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -63.67 -40.22 96.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 t -56.99 -47.1 81.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.97 -43.09 99.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.22 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.724 ' HB3' HD22 ' A' ' 78' ' ' LEU . 1.1 tp10 -61.0 -42.51 98.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -64.21 -51.16 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.94 -34.54 63.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -26.17 39.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.734 ' CZ ' HD12 ' A' ' 75' ' ' LEU . 3.3 m-85 -85.75 14.07 6.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.53 39.76 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.407 ' CG1' HD23 ' A' ' 41' ' ' LEU . 3.6 t -124.98 150.03 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.7 m-80 -84.48 137.47 39.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.5 -22.81 69.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.064 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -63.84 -13.61 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 50' ' ' LEU . 75.9 mt -83.48 -0.79 51.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.77 -4.86 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 p -121.49 128.89 52.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 p -56.84 -28.27 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -48.96 55.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.17 -41.29 99.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.402 1.064 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 82' ' ' ILE . 3.7 t -63.94 -43.79 94.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -61.9 -38.63 89.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.44 -39.67 92.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.064 HD11 HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.25 -48.1 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.58 -43.89 76.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.33 -23.54 73.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -78.74 -22.56 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 7.9 mt -100.65 -31.63 11.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.46 -57.79 1.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -36.42 2.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -58.45 -16.11 13.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 79' ' ' TYR . 28.3 mt -63.16 -19.29 64.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -33.77 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.418 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 9.0 t -112.99 35.72 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.8 170.72 48.71 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -99.7 172.92 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.74 -42.02 98.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -44.94 76.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 9.9 tt -56.56 -43.64 80.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 3.6 mtm-85 -60.86 -50.92 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 t -55.72 -36.43 67.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 40' ' ' GLU . 1.4 tp -64.17 -47.25 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.24 -39.49 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.648 ' HA ' HD21 ' A' ' 101' ' ' LEU . 36.8 t-20 -62.62 -48.52 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.796 HG22 ' HH2' ' A' ' 16' ' ' TRP . 7.3 m -60.88 -41.77 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 57' ' ' CYS . 4.8 mm -65.1 -40.93 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.69 -49.19 75.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.017 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.5 t -61.66 -38.98 81.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 7' ' ' VAL . 14.6 tp -58.9 -45.48 90.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 24.9 t80 -61.97 -44.16 97.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -58.35 -37.72 75.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.239 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.2 t -69.88 -36.57 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.437 ' CE1' HG12 ' A' ' 7' ' ' VAL . 3.1 m-70 -72.98 -20.78 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.4 mm-40 -98.81 -1.85 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.12 54.1 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 90' ' ' GLN . 3.3 mt -107.47 132.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -49.23 135.08 17.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CA ' ' HE2' ' A' ' 95' ' ' LYS . 5.4 m -148.5 155.24 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' CG ' ' OE1' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -145.36 -53.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -119.97 153.95 35.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.497 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 75.0 m -59.99 -36.19 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.03 91.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.501 ' OE1' ' CG ' ' A' ' 95' ' ' LYS . 2.5 tt0 -62.66 -37.83 87.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -61.26 -49.43 77.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -62.07 -34.06 75.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.56 -37.21 76.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -48.92 63.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.474 HG13 ' HB1' ' A' ' 83' ' ' ALA . 3.4 mm -57.06 -42.56 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.995 HG11 HD11 ' A' ' 85' ' ' LEU . 47.2 t -122.16 -42.29 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -159.32 -176.23 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.46 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.94 -178.51 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.75 -53.66 26.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.66 79.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.674 ' CB ' HD12 ' A' ' 8' ' ' LEU . 9.4 mt-10 -60.63 -40.97 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.54 -33.06 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.62 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -37.86 61.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.769 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.97 -39.31 74.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.19 27.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 -4.09 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.5 mp -87.29 147.09 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 12.2 ptp180 -99.61 153.11 19.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.5 mt -82.73 -38.75 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -112.13 153.37 44.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.95 -36.46 2.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.75 85.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 109.19 166.53 20.45 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 160.88 -60.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -164.96 177.68 7.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.31 173.27 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.782 ' CE1' HD23 ' A' ' 21' ' ' LEU . 4.2 m-85 -76.42 167.09 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 pttm 179.15 -179.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.96 -21.65 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.45 81.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.617 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -71.28 -35.78 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.562 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 15.2 mt -68.03 -34.31 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.611 HG23 HD12 ' A' ' 31' ' ' LEU . 4.5 t -71.56 -42.44 72.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 11.5 t90 -63.86 -49.15 73.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.42 -46.5 89.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.4 t -57.0 -40.94 77.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -62.67 -43.23 99.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE1' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.717 HD11 HG21 ' A' ' 60' ' ' ILE . 4.2 mm? -60.62 -51.13 70.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.39 -33.07 73.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -77.52 -21.26 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.79 -8.97 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.95 31.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -119.28 150.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.702 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.2 t30 -75.65 125.05 88.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -35.71 2.99 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.516 1.798 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.06 -36.07 79.76 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -67.12 -11.84 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.564 0.802 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.661 HD13 ' CD1' ' A' ' 60' ' ' ILE . 6.6 tp -74.0 -4.63 36.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.95 -4.88 46.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 p -115.88 137.28 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -56.82 -30.86 64.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -46.76 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -59.92 -44.03 97.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.773 ' SG ' HD23 ' A' ' 85' ' ' LEU . 14.9 t -63.89 -41.06 97.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.98 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.73 -49.18 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.717 HG21 HD11 ' A' ' 41' ' ' LEU . 8.7 mt -61.37 -45.3 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -55.78 -43.83 77.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.84 -23.77 75.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -70.65 -38.64 73.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD21 HD13 ' A' ' 82' ' ' ILE . 4.5 pp -98.22 -10.34 24.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.581 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.4 mt-30 -37.73 -52.96 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -29.5 8.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 t -57.83 -16.51 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.147 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.3 mt -71.99 -39.66 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.3 tt0 -35.74 -67.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -115.34 37.69 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.67 -174.09 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -104.59 167.77 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.86 -43.15 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -67.68 -44.28 78.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.35 -43.1 83.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -51.95 67.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -33.07 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.81 HD22 ' OE1' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -67.71 -46.99 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.147 ' CD1' HD11 ' A' ' 68' ' ' LEU . 9.5 t80 -56.78 -41.79 78.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -64.47 -45.75 86.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.483 HG23 ' CE2' ' A' ' 29' ' ' TYR . 18.3 m -60.65 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.694 HD13 HD21 ' A' ' 64' ' ' LEU . 10.0 mt -62.17 -38.41 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.207 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.135 ' HB1' HD11 ' A' ' 104' ' ' ILE . . . -60.46 -47.64 85.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 100' ' ' ALA . 25.0 t -59.85 -39.84 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.995 HD11 HG11 ' A' ' 7' ' ' VAL . 8.9 tp -58.82 -44.88 90.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 58' ' ' ARG . 35.4 t80 -63.15 -40.04 96.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 6.0 t -58.59 -44.29 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.371 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.3 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.598 ' CE1' HG12 ' A' ' 7' ' ' VAL . 2.0 m-70 -70.17 -23.77 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.564 ' CB ' HD12 ' A' ' 92' ' ' ILE . 8.3 mm100 -93.56 -16.04 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 71.95 51.89 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -110.08 132.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.08 132.22 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 100' ' ' ALA . 2.9 m -149.56 171.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.35 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -117.28 162.32 18.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -39.77 85.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . 21.6 tp10 -66.34 -36.04 81.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB3' HG22 ' A' ' 84' ' ' VAL . . . -71.34 -50.07 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 6.7 tp -59.36 -42.15 90.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -71.25 -31.78 67.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -49.13 70.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.135 HD11 ' HB1' ' A' ' 83' ' ' ALA . 20.1 pt -71.68 -36.56 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.035 HG12 HD22 ' A' ' 8' ' ' LEU . 52.5 t -142.75 -56.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HG12 ' A' ' 7' ' ' VAL . 3.0 mm? -107.68 134.29 50.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.13 -166.97 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.73 -61.84 6.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.07 -39.09 46.37 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.97 -35.19 76.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 0.831 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 HD23 ' A' ' 31' ' ' LEU . 1.5 tp -75.79 -45.31 36.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.02 -32.88 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -83.91 -42.19 16.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -56.77 -25.88 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.034 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.4 tm-20 -89.83 32.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.71 -7.3 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.35 121.83 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -89.25 145.5 25.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.9 -37.27 40.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.364 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.86 152.07 38.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -39.35 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -14.66 75.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.23 168.48 13.76 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 27.9 tptt 160.9 -60.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -171.14 174.11 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.9 mt-30 -127.21 171.59 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.216 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 5.1 m-30 -59.24 156.29 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 178.99 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -58.67 -18.99 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.29 69.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -71.19 -37.81 72.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.529 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.638 HD13 HD23 ' A' ' 8' ' ' LEU . 65.8 mt -65.75 -44.16 93.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.774 HG23 HD13 ' A' ' 31' ' ' LEU . 4.3 t -65.28 -37.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 29.9 t90 -63.7 -49.05 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.38 -38.25 88.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -57.07 -48.07 79.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -42.94 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CA ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.18 -46.29 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.808 HD21 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -57.97 -51.08 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.237 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.51 -32.9 67.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -20.99 44.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -84.74 12.51 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.04 34.19 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.782 HG22 HD12 ' A' ' 50' ' ' LEU . 6.9 p -125.02 150.8 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.17 138.09 72.16 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -33.13 4.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.3 -16.08 8.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.899 ' HB2' HD11 ' A' ' 60' ' ' ILE . 69.5 mt -62.41 -35.98 80.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 41' ' ' LEU . 6.5 mt -74.46 -3.46 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.79 -4.83 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 p -144.25 142.5 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -56.82 -30.75 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.74 -49.15 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.2 96.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.578 1.174 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 10.9 p -63.85 -39.68 94.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 2.8 tmt_? -59.95 -42.42 94.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.68 -45.55 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 50' ' ' LEU . 25.0 mt -58.94 -47.97 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.81 -43.96 77.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.88 77.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -40.73 67.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.34 -15.59 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -39.06 -52.56 3.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -36.38 2.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -57.74 -16.72 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.194 HD11 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -68.31 -40.36 81.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.5 tp-100 -36.11 -68.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -114.54 40.6 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.33 172.93 51.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -94.0 168.18 11.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.44 -43.25 88.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.78 -44.26 81.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.45 -39.84 88.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -61.95 -49.4 76.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.9 t -56.09 -37.81 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -64.14 -47.21 80.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.194 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.6 t80 -55.88 -43.05 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.483 ' HA ' HD13 ' A' ' 101' ' ' LEU . 9.0 t-20 -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.705 HG22 ' HH2' ' A' ' 16' ' ' TRP . 3.4 m -60.63 -42.18 96.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.72 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.2 mm -61.59 -42.96 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.863 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.658 HG22 ' CB ' ' A' ' 100' ' ' ALA . 3.5 t -63.47 -34.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 8' ' ' LEU . 37.5 tp -62.72 -36.47 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -74.22 -38.84 63.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.8 m -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.12 -47.09 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 2.7 m-70 -54.93 -25.04 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 1.5 mm-40 -98.14 -16.26 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 30.8 ttt180 80.17 52.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.03 132.05 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.51 127.66 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.73 171.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 99' ' ' GLU . 0.4 OUTLIER -146.04 -46.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.94 168.11 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 t -67.3 -35.22 79.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.98 77.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 10.7 tp10 -62.18 -48.05 81.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.6 tp -57.29 -41.12 79.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.23 -32.5 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -49.07 74.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.863 HD12 ' HB1' ' A' ' 83' ' ' ALA . 26.8 mt -69.51 -35.55 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 52' ' ' GLU . 3.4 t -74.43 -64.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 34' ' ' ILE . 35.0 mt -102.25 128.48 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 14.2 m -78.42 -170.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -55.0 32.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.94 -45.71 49.52 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.05 70.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD21 HD23 ' A' ' 31' ' ' LEU . 5.1 tp -75.21 -45.36 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.69 89.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -75.6 -37.2 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.744 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.99 -35.04 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -86.58 36.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -117.22 -9.5 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.4 mp -87.3 122.24 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -89.2 140.42 29.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD11 ' NE2' ' A' ' 33' ' ' HIS . 14.4 mt -72.98 -34.04 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.72 152.04 40.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -42.61 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.56 76.4 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 123.33 168.17 12.99 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.7 tttt 160.31 -59.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.66 175.02 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.8 pm0 -133.46 170.43 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.619 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 4.3 m-30 -55.96 144.96 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.15 179.18 7.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -57.51 -19.75 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -45.82 72.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.619 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -71.28 -35.79 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.555 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.747 ' CD1' HD12 ' A' ' 8' ' ' LEU . 21.6 mt -67.2 -41.6 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 HD13 ' A' ' 31' ' ' LEU . 3.3 t -65.49 -41.11 90.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 1.088 ' CH2' HD12 ' A' ' 78' ' ' LEU . 45.4 t90 -63.71 -49.17 74.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.36 -40.79 87.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -39.06 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -62.91 -42.98 99.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.28 -33.25 72.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -62.93 -51.27 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -33.0 74.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -29.74 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 1.3 m-30 -86.27 10.5 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.34 47.33 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.94 150.06 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.675 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.16 127.35 81.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.02 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -63.08 -37.8 95.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.65 -11.85 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.41 -4.85 59.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 6.8 pt-20 -76.28 -4.84 44.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 p -104.27 139.33 39.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.3 -31.21 63.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -71.07 -47.67 57.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -38.91 96.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.3 t -66.33 -45.14 81.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 3.3 tmt_? -64.34 -35.91 82.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -49.0 76.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.487 HD13 HD11 ' A' ' 41' ' ' LEU . 6.0 mt -58.99 -48.05 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 83' ' ' ALA . 8.0 tp -55.89 -40.68 73.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.34 -23.92 76.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -40.98 67.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.9 -16.8 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.2 mt-30 -38.59 -52.73 3.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.06 -33.84 4.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 t -61.15 -14.39 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.095 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.6 mt -73.14 -35.2 66.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 57.1 mm-40 -37.19 -42.11 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -143.66 39.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.25 173.34 53.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.75 167.52 12.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.21 -43.14 87.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.42 -43.61 80.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' HA3' ' A' ' 71' ' ' GLY . 6.7 tt -60.6 -39.59 88.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.48 89.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -41.26 83.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.088 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.6 -44.68 89.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.095 ' CD1' HD11 ' A' ' 68' ' ' LEU . 3.4 t80 -55.74 -43.18 76.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.798 ' ND2' HD22 ' A' ' 101' ' ' LEU . 8.3 t-20 -64.85 -43.88 91.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -60.81 -42.4 97.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.456 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mm -61.49 -43.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.491 ' N ' HD13 ' A' ' 61' ' ' LEU . . . -56.54 -48.28 77.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.5 t -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 51' ' ' LEU . 13.0 tp -63.41 -37.73 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 104' ' ' ILE . 59.4 t80 -72.49 -34.56 67.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' ILE . 71.3 m -63.46 -45.1 92.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -71.15 -47.08 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 4.1 m80 -48.28 -43.61 32.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -86.86 -16.57 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER 76.69 63.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.2 mm -110.07 132.0 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.77 120.35 2.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.8 m -137.4 171.29 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.63 -46.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.01 155.54 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 t -60.64 -35.36 76.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.32 -42.19 79.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.527 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.798 HD22 ' ND2' ' A' ' 80' ' ' ASN . 7.7 tp -68.53 -38.5 80.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -71.07 -37.25 72.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -63.51 -49.05 75.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.8 -34.84 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 8' ' ' LEU . 3.2 t -140.77 -79.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 85' ' ' LEU . 5.4 mp -102.24 142.95 32.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -73.36 -178.27 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.39 -58.1 16.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.64 97.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 13.4 mt -75.01 -41.77 58.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.57 -37.16 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.77 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -57.01 -30.29 64.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 107.964 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.66 29.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -5.3 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.03 138.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 3.9 mtt85 -85.61 151.09 24.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD12 ' HB3' ' A' ' 27' ' ' LYS . 54.4 mt -82.25 -39.83 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -130.78 152.31 80.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.12 2.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.55 -0.42 55.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.61 -171.62 36.13 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.03 47.02 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -123.52 161.38 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.51 177.18 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.5 m-30 -76.0 175.4 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.63 174.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -54.95 -26.13 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.03 93.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 87.8 m-70 -70.85 -35.94 72.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 27.5 mt -66.25 -35.93 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.7 t -69.76 -46.65 73.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 78' ' ' LEU . 10.2 t90 -63.92 -34.86 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -66.18 -53.28 39.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 p -57.03 -39.05 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -43.08 99.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 3.3 tp10 -63.23 -44.33 95.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 82' ' ' ILE . 1.3 mp -61.94 -51.0 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -55.01 -38.02 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -25.39 55.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.634 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.5 m-85 -85.3 -4.24 59.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.34 43.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG11 HD23 ' A' ' 41' ' ' LEU . 5.9 t -124.97 143.52 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' HB2' HD23 ' A' ' 50' ' ' LEU . 2.2 m120 -76.31 130.09 78.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.41 2.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.06 -20.57 71.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.032 HD11 HD11 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -70.57 -13.23 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 109.347 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' NE2' ' A' ' 89' ' ' HIS . 36.0 mt -83.79 -2.59 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.92 -4.92 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 p -124.89 135.53 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 p -56.9 -30.79 64.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.39 -48.99 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.27 -43.49 93.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 6.5 m -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 86' ' ' TYR . 16.9 tpt85 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.032 HD11 HD11 ' A' ' 50' ' ' LEU . 19.5 mt -59.51 -49.06 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.93 -49.6 73.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.88 -29.4 74.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -24.14 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 68' ' ' LEU . 17.6 mt -88.0 -31.97 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -36.21 -53.88 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.01 -30.7 6.86 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' LEU . 67.1 m -56.27 -47.51 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -58.98 -29.27 67.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 58.9 tp60 -37.41 -40.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -146.32 31.15 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.92 52.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 p -96.38 169.58 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.29 -39.66 87.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.51 -47.04 68.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.6 tt -59.83 -39.45 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -47.64 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -47.0 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.94 -46.81 84.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD21 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.47 -42.61 82.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.473 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 88.1 m-20 -59.3 -45.62 90.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.77 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.5 m -60.72 -42.51 97.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 41' ' ' LEU . 5.0 mm -61.42 -43.34 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.596 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.89 -48.71 77.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.8 t -59.92 -37.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD13 ' CD2' ' A' ' 89' ' ' HIS . 1.2 tm? -59.01 -46.74 87.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.686 ' CD2' HD11 ' A' ' 104' ' ' ILE . 22.5 t80 -61.85 -44.29 97.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 92' ' ' ILE . 1.1 m -56.92 -39.04 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' VAL . 19.2 t -65.73 -42.97 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CD2' HD13 ' A' ' 85' ' ' LEU . 37.2 m-70 -58.95 -35.96 74.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.01 -10.64 52.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.16 62.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.42 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.2 mt -109.97 130.83 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.85 130.77 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -142.23 159.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -39.55 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.79 157.46 46.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.0 t -59.95 -28.04 67.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -70.0 -38.97 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.07 -45.82 72.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -62.4 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.2 tp -68.98 -31.02 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -40.66 71.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -49.0 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.686 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.67 -34.97 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.897 H132 ' HB3' ' A' ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.62 -61.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -119.42 51.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . 48.85 -176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -31.34 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.785 HG23 ' H71' ' A' ' 1' ' ' MYR . 54.6 t -70.74 -59.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' A' ' 89' ' ' HIS . 80.1 mt -138.49 147.3 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.433 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -75.18 -177.14 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.22 -55.13 31.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.87 -44.69 97.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' OE2' ' CB ' ' A' ' 9' ' ' SER . 1.2 mp0 -60.78 -32.34 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 31' ' ' LEU . 5.8 mt -75.03 -36.93 61.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -40.5 97.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.62 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.741 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -56.96 -32.97 66.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 107.949 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.06 32.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -6.71 11.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.3 138.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 6.2 mtm180 -89.57 151.66 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD11 ' NE2' ' A' ' 33' ' ' HIS . 14.7 mt -83.84 -37.98 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -128.37 152.21 77.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.78 41.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.04 -171.14 41.63 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -134.71 45.64 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 24.6 mttt -112.45 156.23 22.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.5 pt20 -150.1 162.3 40.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 3.3 m-85 -72.88 160.63 31.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.22 173.56 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -54.99 -27.12 41.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -45.25 93.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.663 ' NE2' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.64 -35.85 75.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.621 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.766 HG23 H112 ' A' ' 1' ' ' MYR . 37.8 mt -65.64 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.51 -38.81 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CH2' HD12 ' A' ' 78' ' ' LEU . 39.4 t90 -63.83 -49.16 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.897 ' HB3' H132 ' A' ' 1' ' ' MYR . . . -61.1 -43.66 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.429 ' CB ' H101 ' A' ' 1' ' ' MYR . 1.5 t -59.29 -41.13 88.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -62.85 -43.09 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -68.09 -37.72 81.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -64.48 -51.05 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -34.99 75.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -24.87 56.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.691 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -85.01 -6.07 59.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.39 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -123.21 140.98 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.862 ' HB2' HD23 ' A' ' 50' ' ' LEU . 3.3 t30 -76.0 132.72 73.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -61.33 -40.77 99.09 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.947 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.03 -11.95 61.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 41' ' ' LEU . 1.3 tp -86.95 -0.68 56.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.2 pt-20 -76.51 -36.54 57.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -71.39 140.73 50.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -26.33 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.21 -48.95 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -37.17 93.82 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -67.49 -45.02 77.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 4.1 ttt-85 -64.84 -36.01 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -63.77 -48.52 76.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 41' ' ' LEU . 12.6 mt -58.93 -47.85 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 11.8 tp -55.99 -41.88 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.34 -24.0 77.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -32.85 59.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLN . 9.9 mt -93.43 -17.81 23.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.75 -53.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m -57.26 -17.57 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.191 HD11 ' CD2' ' A' ' 79' ' ' TYR . 5.0 mt -73.02 -39.26 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.7 tt0 -38.28 -43.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -140.75 37.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 75' ' ' LEU . . . -82.03 174.89 53.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 p -90.06 166.0 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.774 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.55 -42.42 82.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -67.98 -44.45 76.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD23 ' HA3' ' A' ' 71' ' ' GLY . 1.4 tp -58.29 -42.21 86.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -62.98 -48.5 78.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.8 m -57.8 -37.58 74.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.01 -47.09 81.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.191 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.8 t80 -56.94 -42.98 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.767 ' HA ' HD21 ' A' ' 101' ' ' LEU . 77.3 m-20 -62.91 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.689 HG22 ' HH2' ' A' ' 16' ' ' TRP . 17.6 m -60.98 -41.64 96.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 57' ' ' CYS . 24.2 mt -63.85 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.044 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -59.01 -46.42 88.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.1 t -60.0 -42.99 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.686 HD22 H143 ' A' ' 1' ' ' MYR . 23.7 tp -58.88 -44.51 91.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.491 ' CZ ' ' OE1' ' A' ' 90' ' ' GLN . 7.0 t80 -61.97 -37.94 86.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.2 -44.68 96.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.284 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.1 t -65.22 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 8' ' ' LEU . 6.0 m-70 -66.74 -37.51 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -89.24 -5.35 57.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 73.77 54.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' HD2' ' A' ' 103' ' ' LYS . 30.3 mm -110.02 132.05 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.28 146.09 43.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.591 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -147.25 170.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -47.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.34 161.01 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 t -60.01 -31.79 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -44.98 68.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.15 -47.96 81.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.591 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -63.65 -38.79 92.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -40.66 97.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -70.95 -35.21 72.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 92' ' ' ILE . 8.0 tmtm? -63.15 -49.01 76.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.044 HD12 ' HB1' ' A' ' 83' ' ' ALA . 16.4 mt -70.3 -37.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.33 -39.93 94.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -50.21 50.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.95 -52.03 65.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -51.25 67.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -53.12 -48.25 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.05 -42.89 91.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -54.94 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 3.9 mmtt -49.37 -49.27 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' GLN . 44.6 tttt -55.26 -57.4 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -44.11 -40.22 4.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -65.51 -43.34 90.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -64.29 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 114' ' ' LYS . 1.9 pp0? -47.98 -39.5 19.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -48.01 -61.37 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -43.95 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.4 -55.81 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 122' ' ' THR . 6.6 m -113.15 68.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 172.34 -155.6 23.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.24 167.4 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -158.73 167.25 29.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 p -164.77 170.21 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -172.37 170.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.9 p -170.81 150.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -174.46 135.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.39 167.2 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.51 133.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.776 H121 ' HB3' ' A' ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.16 -59.72 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.745 . . . . 0.0 109.323 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' ALA . 5.7 ttm180 -130.99 69.04 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.87 -175.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.6 56.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG12 ' HG ' ' A' ' 8' ' ' LEU . 73.5 t -126.2 -81.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.987 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -121.86 172.42 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -179.68 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.82 -56.02 27.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.91 92.52 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 6.5 mt-10 -61.03 -31.68 71.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.35 -45.05 66.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -56.66 -50.55 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.94 -31.25 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 2.8 tt0 -91.07 27.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -119.63 -3.55 10.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.514 HD13 ' CG1' ' A' ' 84' ' ' VAL . 3.3 mt -87.07 130.12 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 91.1 mtt180 -93.69 145.71 24.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 ' CE1' ' A' ' 29' ' ' TYR . 8.5 mt -77.7 -48.83 15.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.11 153.19 38.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.39 0.1 81.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 97.27 167.17 32.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.09 -60.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.21 173.42 12.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 176.15 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.78 ' CE1' HD23 ' A' ' 21' ' ' LEU . 6.5 m-85 -72.62 156.09 39.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -160.93 -176.8 5.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.74 -24.03 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.06 86.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.616 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -71.0 -36.67 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.6 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 54.3 mt -64.44 -42.61 95.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 31' ' ' LEU . 5.1 t -69.52 -35.39 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CH2' HD22 ' A' ' 78' ' ' LEU . 26.0 t90 -63.99 -48.37 76.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 107.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.776 ' HB3' H121 ' A' ' 1' ' ' MYR . . . -64.96 -41.77 95.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.501 ' OG ' ' C9 ' ' A' ' 1' ' ' MYR . 29.6 m -57.01 -46.58 82.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -39.54 87.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 37' ' ' ALA . 4.4 mm? -63.11 -51.09 67.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.68 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CB ' HG12 ' A' ' 46' ' ' VAL . 2.1 m-85 -84.85 7.28 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.5 35.53 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -122.3 150.16 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.964 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.9 125.68 87.91 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.21 2.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.07 -35.91 86.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -70.1 -12.23 61.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.554 HD13 ' C10' ' A' ' 1' ' ' MYR . 0.2 OUTLIER -77.95 -11.26 59.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 6.3 pt-20 -76.97 -4.99 46.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -113.69 140.2 48.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -57.03 -31.58 65.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -49.07 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.863 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -62.93 -39.09 97.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 85' ' ' LEU . 5.1 t -64.01 -41.06 97.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.93 -35.95 81.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.18 -52.0 65.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -60.4 -42.18 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD22 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -55.97 -50.08 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 -23.91 75.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -33.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -91.47 -19.68 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.806 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.5 mt-30 -38.78 -55.81 2.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.95 -40.12 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -56.95 -17.58 10.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.4 mt -72.86 -39.91 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 23.7 tt0 -37.77 -53.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -129.3 36.77 4.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.21 173.26 53.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -89.75 168.79 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.41 -42.79 92.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.201 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.16 -44.68 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' HA3' ' A' ' 71' ' ' GLY . 7.9 tt -59.19 -42.08 90.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -61.53 -51.53 68.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -55.88 -35.41 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -65.25 -46.95 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.141 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.1 t80 -57.67 -42.47 83.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.614 ' OD1' HD21 ' A' ' 101' ' ' LEU . 82.7 m-20 -62.04 -47.02 86.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' HE2' ' A' ' 29' ' ' TYR . 40.2 m -60.95 -42.99 99.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.558 HD11 HD21 ' A' ' 41' ' ' LEU . 14.4 mm -61.2 -40.76 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.59 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -59.83 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.9 t -60.83 -39.81 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 85' ' ' LEU . 1.2 tm? -59.03 -44.98 91.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 104' ' ' ILE . 32.1 t80 -61.98 -43.57 98.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.547 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -57.49 -41.83 81.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 84' ' ' VAL . 10.5 t -67.2 -34.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 2.4 m-70 -61.05 -43.19 99.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -87.05 2.67 48.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 64.19 61.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 87' ' ' CYS . 7.1 mt -110.03 121.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.82 128.47 26.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -127.81 171.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -146.27 -47.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -140.96 170.7 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 21' ' ' LEU . 8.9 t -68.78 -37.35 79.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.473 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -38.66 75.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.85 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.45 -38.91 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.614 HD21 ' OD1' ' A' ' 80' ' ' ASN . 1.8 tp -68.95 -39.61 79.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -37.98 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -48.92 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -69.37 -34.93 64.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -39.4 93.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.77 -53.41 21.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.08 71.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -55.18 -50.55 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -53.21 -48.59 68.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.399 1.062 . . . . 0.0 109.268 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -59.1 -42.97 91.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -57.45 -56.51 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.81 -51.69 48.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -51.64 -52.74 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -51.52 -51.48 54.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.06 -49.33 42.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -51.31 70.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -42.83 18.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.322 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.6 -49.78 44.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.93 -47.56 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 122' ' ' THR . . . -79.32 -39.67 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -41.43 -49.24 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 120' ' ' ALA . 44.7 p 46.11 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -100.18 151.02 19.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 174.46 165.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.59 158.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.9 p 177.75 142.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -165.49 113.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.25 156.82 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.1 t -177.07 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.51 149.57 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 174.68 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.806 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.38 71.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.6 154.91 36.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.55 -176.56 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.65 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG12 HD11 ' A' ' 85' ' ' LEU . 44.0 t -66.34 -54.34 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.424 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.956 HD11 HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -130.68 149.86 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.22 -174.9 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.85 -55.68 27.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -45.12 96.73 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.67 -30.85 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.775 ' HG ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -73.7 -41.55 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -46.16 86.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -43.24 65.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 1.1 t-105 -56.96 -27.47 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.88 22.72 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -2.47 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CG1' ' A' ' 84' ' ' VAL . 4.2 mt -87.47 126.58 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 23' ' ' PRO . 12.3 ptp180 -93.64 136.54 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CE1' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -67.64 -40.76 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.03 151.54 44.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.0 -36.22 2.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 -12.9 51.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.51 -172.33 47.7 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.23 50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.6 100.43 10.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -87.7 135.41 33.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.736 ' HE2' HG23 ' A' ' 81' ' ' THR . 9.6 m-85 -57.52 160.77 3.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 -177.08 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -59.3 -18.8 40.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -68.88 -45.56 70.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.782 ' CE1' HD11 ' A' ' 21' ' ' LEU . 15.5 m170 -71.15 -38.3 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 HD11 ' A' ' 8' ' ' LEU . 31.6 mt -66.97 -39.04 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -65.95 -42.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.535 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 43.7 t90 -63.74 -49.13 74.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.69 ' HB3' H131 ' A' ' 1' ' ' MYR . . . -58.96 -40.53 85.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.479 ' HB2' ' C11' ' A' ' 1' ' ' MYR . 5.4 t -63.15 -39.46 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.922 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -43.11 99.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.49 -47.12 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.99 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -57.87 -47.19 83.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.87 -32.89 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -76.72 -19.94 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.693 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 1.2 m-85 -84.59 -8.42 58.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.54 38.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.99 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.13 147.77 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.686 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.95 129.91 79.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -60.88 -41.96 99.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.64 -11.91 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.956 HD22 HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -85.25 -0.82 55.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 9.7 pt-20 -76.63 -20.41 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -89.12 145.58 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 p -56.73 -31.4 64.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -49.09 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.805 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -44.84 92.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -63.97 -41.5 97.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -37.38 82.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.49 65.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 56' ' ' GLY . 3.5 mt -58.9 -46.28 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 79' ' ' TYR . 1.2 mt -55.9 -43.01 76.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.16 -23.94 77.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.5 -41.07 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.05 -16.57 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.2 mt-30 -38.72 -55.36 2.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 -39.7 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 m -56.95 -17.55 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.146 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.3 mt -73.08 -39.95 65.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -36.9 -40.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -145.89 39.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -81.08 172.65 54.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 p -87.04 171.15 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.03 -44.41 97.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 14.1 pt-20 -67.62 -41.59 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.755 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.2 tt -62.26 -41.97 98.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -61.33 -48.84 79.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -40.69 79.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.19 -47.25 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.146 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.0 t80 -57.5 -43.15 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.956 ' OD1' HD11 ' A' ' 101' ' ' LEU . 78.3 m-20 -60.23 -43.06 96.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.736 HG23 ' HE2' ' A' ' 29' ' ' TYR . 86.6 m -60.81 -42.14 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.852 HD11 HD11 ' A' ' 41' ' ' LEU . 31.9 mm -60.0 -45.41 95.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.06 -47.66 80.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 88' ' ' VAL . 41.9 t -59.89 -43.13 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.913 HD23 HD11 ' A' ' 51' ' ' LEU . 45.7 tp -59.57 -44.51 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CD1' HD11 ' A' ' 104' ' ' ILE . 6.6 t80 -61.91 -36.39 81.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.1 m -64.29 -43.81 93.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.2 t -66.13 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 52' ' ' GLU . 17.7 m-70 -62.41 -50.2 72.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' HB2' HD12 ' A' ' 92' ' ' ILE . 28.9 mm-40 -87.06 5.89 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.63 51.85 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -89.66 129.65 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.45 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 92' ' ' ILE . 1.6 m -122.38 171.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -174.06 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.39 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -134.46 159.99 39.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.2 m -69.74 -28.05 65.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 110.429 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -44.98 68.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.499 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 16.8 mm-40 -66.62 -47.78 71.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.65 74.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.956 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -66.65 -31.19 71.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -66.9 -41.41 87.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -65.93 -49.04 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.489 HG13 ' HB1' ' A' ' 83' ' ' ALA . 49.7 mm -61.83 -35.85 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.402 ' HA ' ' CG ' ' A' ' 108' ' ' GLN . 3.1 tt0 -72.86 -30.1 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -46.15 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -50.39 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.402 ' CG ' ' HA ' ' A' ' 105' ' ' GLU . 0.5 OUTLIER -56.21 -37.66 69.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -70.07 -45.0 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -40.31 84.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -56.19 19.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -51.74 -52.94 44.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -50.83 -51.82 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -51.57 -52.82 44.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.63 -52.89 44.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -50.32 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.62 -51.85 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.52 -57.07 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ALA . . . -40.54 -51.25 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.74 -58.15 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -40.5 -59.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.7 p -62.43 -55.95 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.24 162.96 38.96 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -163.41 166.97 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -168.5 167.43 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.47 170.17 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.072 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -143.18 133.67 24.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.7 p -163.6 155.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -165.78 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? 43.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.117 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.21 167.69 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 50.6 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.541 H132 HD21 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.25 73.29 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 0.721 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 169.82 101.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.88 152.73 18.74 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -111.9 -21.78 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.682 HG12 HD13 ' A' ' 8' ' ' LEU . 1.9 t -74.21 -62.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 13' ' ' LEU . 6.4 mp -112.24 152.57 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -176.81 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.04 25.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.55 -43.49 98.94 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG2' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -60.67 -31.93 71.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.311 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -75.5 -38.23 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.21 -35.32 79.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -83.05 -38.78 22.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -62.75 -30.4 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.62 23.95 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 0.08 9.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 94' ' ' VAL . 2.2 mp -87.34 133.42 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 80.6 mtt-85 -85.62 148.57 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD12 ' HB3' ' A' ' 27' ' ' LYS . 95.0 mt -76.06 -44.37 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.95 153.0 80.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.178 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.98 2.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.45 12.17 64.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.43 -170.89 17.62 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -138.15 47.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.828 ' HB3' HD12 ' A' ' 21' ' ' LEU . 1.3 tttt -123.73 159.55 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 74.3 mt-30 -144.62 175.87 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.708 ' CE1' HD23 ' A' ' 21' ' ' LEU . 13.0 m-85 -86.61 163.01 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.44 -177.62 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -25.57 53.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.17 93.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.621 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -71.26 -35.55 71.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.62 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.6 mm -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.96 -34.99 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.437 ' HH2' ' HG ' ' A' ' 77' ' ' SER . 38.6 t90 -63.91 -49.03 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.781 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -67.12 -40.29 86.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' C10' ' A' ' 1' ' ' MYR . 51.8 p -56.91 -48.14 78.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -43.09 98.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.8 -38.05 86.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -64.96 -51.12 63.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -58.57 -32.9 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.09 -26.27 42.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.676 ' CE2' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -84.99 -0.54 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.99 42.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 41' ' ' LEU . 2.1 t -124.99 139.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.568 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.7 t-20 -75.95 131.97 75.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.11 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.87 99.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.04 -11.91 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 41' ' ' LEU . 11.5 tp -77.13 -10.34 59.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 7.3 pt-20 -76.88 -4.96 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -108.52 130.09 55.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -56.73 -27.58 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -49.07 48.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 50' ' ' LEU . . . -62.5 -39.25 97.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.7 t -68.03 -39.06 83.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -68.13 -35.98 78.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -52.09 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 HD11 HD11 ' A' ' 50' ' ' LEU . 22.7 mt -61.24 -49.64 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.653 ' HB2' HG22 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -55.72 -49.38 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.49 -23.94 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.47 -36.4 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.3 mt -88.83 -16.16 32.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -41.56 -54.16 6.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -24.91 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -60.98 -19.61 61.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.072 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 79' ' ' TYR . 1.4 mp -73.01 -32.82 65.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 11.2 tt0 -37.7 -40.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -144.46 39.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 175.21 39.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -88.36 166.75 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.82 -42.99 85.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -44.1 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.1 tt -59.88 -40.38 88.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' A' ' 68' ' ' LEU . 13.6 mtm180 -63.43 -48.78 76.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.437 ' HG ' ' HH2' ' A' ' 36' ' ' TRP . 39.7 t -57.48 -40.01 77.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -61.83 -47.08 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.063 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 t80 -57.02 -43.02 81.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.25 -44.32 97.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 m -61.02 -44.37 97.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.653 HG22 ' HB2' ' A' ' 61' ' ' LEU . 73.8 mt -59.87 -43.91 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -59.92 -34.89 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 8' ' ' LEU . 1.9 tm? -64.29 -44.02 92.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.6 ' CD2' HD11 ' A' ' 104' ' ' ILE . 19.8 t80 -61.9 -42.26 98.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.5 m -63.35 -39.52 94.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 84' ' ' VAL . 62.1 t -62.95 -38.52 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.645 ' CE1' HD12 ' A' ' 8' ' ' LEU . 3.0 m-70 -74.81 -24.73 58.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CD ' ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mt-30 -88.67 -8.16 55.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 76.76 65.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 1.007 HG22 HG13 ' A' ' 94' ' ' VAL . 16.2 mm -110.07 132.18 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.34 84.67 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.007 HG13 HG22 ' A' ' 92' ' ' ILE . 4.0 m -112.25 156.91 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.42 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.33 -0.88 8.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER -159.21 140.21 12.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 21' ' ' LEU . 4.3 t -59.96 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -44.08 93.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.489 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 12.3 mt-10 -68.11 -43.71 77.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.19 -47.91 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.05 -30.86 69.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.98 -40.31 87.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -70.01 -49.03 55.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.6 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.49 -34.94 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.76 -39.9 72.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -54.89 41.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -46.01 90.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -54.98 -49.54 71.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -47.16 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.93 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 m -57.24 -56.27 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.15 47.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -51.2 -52.15 47.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -52.05 -53.24 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -51.11 -47.87 61.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -52.44 58.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 27.2 tt0 -59.38 -39.03 82.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 115' ' ' ALA . . . -55.11 -53.61 53.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.89 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -49.38 -58.57 4.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.94 -19.71 60.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.733 HG23 ' N ' ' A' ' 123' ' ' GLY . 1.1 t 40.91 -162.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.733 ' N ' HG23 ' A' ' 122' ' ' THR . . . 131.67 58.98 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 174.58 159.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 0.807 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -176.95 162.16 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.8 -58.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 50.58 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 173.4 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.01 143.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.38 74.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.1 m120 55.77 167.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.242 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 40.3 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.876 H132 HD22 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.66 173.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.99 111.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.73 -176.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.84 50.59 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.796 HG21 H101 ' A' ' 1' ' ' MYR . 22.7 t -126.41 -68.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -133.54 179.54 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -179.61 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.98 -56.1 26.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -44.85 93.35 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 34.3 mm-40 -61.0 -33.77 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -44.94 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.98 -35.86 73.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.36 -37.33 44.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.753 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -61.29 -29.18 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.72 31.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -6.65 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.06 126.44 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 97' ' ' THR . 1.3 mtt85 -80.72 151.98 28.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -85.07 -44.22 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -102.52 153.72 37.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.1 -36.28 2.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -6.05 88.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.42 167.49 21.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.16 -60.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -171.28 -176.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.3 pm0 -129.67 172.93 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.814 ' OH ' HG22 ' A' ' 97' ' ' THR . 5.7 m-30 -59.41 178.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.35 175.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -56.28 -18.91 11.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.18 -45.07 67.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CE1' HD21 ' A' ' 21' ' ' LEU . 43.7 m80 -71.0 -36.87 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.646 HG23 H121 ' A' ' 1' ' ' MYR . 14.3 mt -69.26 -37.75 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' LEU . 12.1 t -67.64 -40.46 84.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ2' HD12 ' A' ' 78' ' ' LEU . 4.1 t90 -63.95 -48.98 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -60.82 -39.29 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -43.02 99.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 78' ' ' LEU . 2.0 tp10 -58.44 -47.13 84.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 60' ' ' ILE . 3.8 mm? -57.94 -50.39 73.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -32.9 67.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -23.28 43.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CB ' HG12 ' A' ' 46' ' ' VAL . 3.2 m-85 -85.04 12.91 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 59.18 34.06 23.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -125.0 150.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 50' ' ' LEU . 97.1 m-20 -75.92 126.11 87.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -36.26 2.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.24 -24.24 58.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.38 -11.96 47.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HG ' ' A' ' 41' ' ' LEU . 13.2 mt -77.23 -0.89 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.74 -4.92 45.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -124.16 138.67 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' OE1' ' A' ' 90' ' ' GLN . 6.5 p -56.78 -32.72 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -72.62 -37.43 68.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -63.48 -46.88 91.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.584 1.177 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.9 p -68.83 -37.88 79.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -64.11 -38.35 90.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -47.45 69.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.205 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.965 HG21 HD11 ' A' ' 41' ' ' LEU . 41.7 mt -60.72 -50.18 81.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' A' ' 82' ' ' ILE . 2.9 tp -58.05 -36.26 72.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.34 -23.93 72.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.82 -41.18 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.9 pp -91.71 -13.8 31.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.17 -51.88 5.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -28.58 9.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -62.83 -12.98 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.078 HD11 ' CD1' ' A' ' 79' ' ' TYR . 3.9 mt -69.12 -33.51 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.4 tt0 -36.75 -65.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -116.8 38.41 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.45 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -80.45 173.3 54.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.0 p -94.11 167.4 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 0.733 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.14 -43.06 87.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -44.51 79.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD22 ' HA3' ' A' ' 71' ' ' GLY . 2.8 tt -59.61 -40.69 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -61.78 -50.51 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -55.12 -33.93 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.007 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -68.34 -46.87 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.078 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.7 t80 -55.82 -42.82 76.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.698 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.1 OUTLIER -66.21 -43.02 87.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.587 HG22 ' HH2' ' A' ' 16' ' ' TRP . 58.5 m -60.96 -41.6 96.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 61' ' ' LEU . 74.7 mt -65.15 -40.51 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.5 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -61.01 -40.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.876 HD22 H132 ' A' ' 1' ' ' MYR . 6.4 tp -59.01 -44.58 91.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 104' ' ' ILE . 20.5 t80 -61.99 -42.98 99.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.474 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -58.33 -41.9 85.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 84' ' ' VAL . 9.3 t -63.13 -42.13 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 85' ' ' LEU . 39.7 m80 -60.76 -35.21 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.541 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -86.98 2.93 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 64.02 52.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 87' ' ' CYS . 9.2 mt -110.09 131.98 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 171.25 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.354 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -146.39 -47.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -141.4 157.48 45.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.814 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.3 p -59.89 -37.58 79.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.82 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -68.03 -38.6 82.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.685 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.72 -37.83 76.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.487 HD12 ' OD1' ' A' ' 80' ' ' ASN . 4.3 mt -68.9 -41.45 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.03 -32.26 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.92 -49.05 66.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.72 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -70.28 -34.97 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -40.05 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.86 -51.11 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -42.22 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.01 -45.97 75.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -53.03 -53.02 56.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -36.5 83.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -56.45 -57.32 12.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.13 -50.9 68.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.99 -49.26 41.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.42 -48.55 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.36 46.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -48.42 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 2.0 tt0 -48.62 -45.54 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 122' ' ' THR . . . -67.89 -51.36 48.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.7 -20.81 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -81.73 -58.34 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 122' ' ' THR . 2.7 m-20 -159.21 71.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.521 HG23 ' HB1' ' A' ' 118' ' ' ALA . 2.4 m -38.52 -60.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.08 -124.87 2.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 p30 179.29 149.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 0.809 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.01 150.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 m -169.29 163.02 10.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.09 144.16 44.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 129' ' ' SER . 7.9 p -173.37 -50.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 128' ' ' VAL . 1.5 t -45.7 137.93 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.88 106.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -110.23 165.72 11.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.82 ' C11' HD21 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.44 -63.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.02 113.4 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 174.65 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.93 51.03 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.977 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.787 HG12 ' HG ' ' A' ' 8' ' ' LEU . 59.7 t -125.89 -78.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.787 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -132.44 174.07 10.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -77.64 -179.45 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.74 -55.91 27.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.66 85.19 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 9.4 mm-40 -61.41 -37.6 84.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -44.96 74.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -56.27 -43.28 78.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -70.95 -40.56 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.755 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -57.07 -30.84 64.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tt0 -90.81 30.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 -3.63 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.11 137.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 5.5 mtt-85 -103.92 145.57 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -80.27 -39.09 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -99.12 151.96 37.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -40.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.8 -9.86 80.16 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 115.28 168.99 15.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.73 -60.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.8 pttt -168.52 158.62 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 3.4 mt-30 -116.78 170.21 8.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.608 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 36.5 m-85 -63.42 169.81 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -179.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.22 -21.87 25.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -67.09 -45.25 77.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.608 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.617 HD13 H141 ' A' ' 1' ' ' MYR . 3.0 mm -66.08 -42.42 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 31' ' ' LEU . 10.6 t -67.56 -37.94 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 40.1 t90 -63.86 -49.13 73.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.776 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.17 -36.09 74.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -41.9 95.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 5.2 tp10 -68.34 -38.57 81.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.992 HD11 HD13 ' A' ' 60' ' ' ILE . 3.6 mm? -57.94 -50.09 74.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -69.64 -21.41 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 2.2 m-85 -84.78 12.65 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.33 32.16 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.805 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -124.96 150.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.758 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 m-20 -75.57 138.02 70.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.5 90.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.005 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.48 -15.14 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.751 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.839 HD22 ' HG ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -90.44 -0.51 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.37 -4.82 44.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -112.04 143.5 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -33.3 66.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -41.94 72.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.05 -39.81 88.73 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.0 t -64.0 -45.03 90.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.6 ttp180 -67.69 -35.96 79.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.3 -51.21 68.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.992 HD13 HD11 ' A' ' 41' ' ' LEU . 25.8 mt -59.03 -50.13 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.1 tp -56.03 -37.33 69.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.37 -23.74 72.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -73.78 -41.1 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 79' ' ' TYR . 1.6 pp -94.66 -10.92 30.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.57 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -38.35 -52.73 3.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -57.08 -17.36 10.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 79' ' ' TYR . 41.7 mt -65.43 -41.7 93.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -36.81 -68.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 t -112.61 36.84 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.25 -176.86 51.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -100.91 166.68 10.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 110.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.3 -42.9 78.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.87 -44.5 76.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.95 -44.01 82.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -60.99 -51.69 68.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -55.28 -34.12 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.061 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -56.96 -43.01 81.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.495 ' CG ' HD11 ' A' ' 101' ' ' LEU . 3.4 m-80 -63.77 -43.9 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 ' HH2' ' A' ' 16' ' ' TRP . 2.0 m -60.79 -46.76 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.539 HG23 ' SG ' ' A' ' 57' ' ' CYS . 73.9 mt -60.1 -41.42 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.17 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.5 t -62.4 -40.85 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.583 HD23 ' CZ3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -58.97 -43.92 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.382 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.711 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.0 t80 -61.84 -45.09 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 m -56.97 -41.25 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 84' ' ' VAL . 11.0 t -66.08 -36.96 78.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 4.8 m-70 -62.0 -39.4 92.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.498 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.0 mt-30 -86.95 -4.99 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.48 56.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -109.97 127.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.04 132.77 54.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.16 157.99 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -130.51 -46.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -140.04 160.73 39.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.0 t -59.99 -45.37 92.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -40.54 94.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.95 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.87 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.495 HD11 ' CG ' ' A' ' 80' ' ' ASN . 13.1 mt -68.97 -48.75 62.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -67.54 -33.04 74.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.03 73.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.711 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -69.81 -34.91 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -39.96 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -69.03 -49.55 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.98 -50.7 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -56.72 -50.93 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.03 -48.23 67.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -42.97 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.0 t -57.22 -56.27 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.38 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.08 -52.03 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -51.61 -52.55 46.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.26 -52.39 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.62 -51.69 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.622 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 3.8 tp60 -50.83 -41.85 57.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 122' ' ' THR . . . -63.16 -65.76 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -46.7 -25.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -68.6 -67.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 122' ' ' THR . 10.6 t0 -140.37 65.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 169.38 168.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 122' ' ' THR . . . -104.45 -158.87 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.143 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -147.81 -51.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 0.768 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 174.85 165.31 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.74 88.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.07 154.9 41.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -165.13 147.53 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 32.4 t -123.5 113.45 18.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.63 170.36 8.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -166.8 158.53 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.603 H131 ' HB1' ' A' ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.03 108.3 5.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.1 151.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.236 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -90.74 152.83 20.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -104.99 -32.55 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.4 t -94.23 -74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.052 HD21 ' CG ' ' A' ' 16' ' ' TRP . 1.9 tp -68.52 117.64 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.602 1.189 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -82.56 -175.66 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.17 -62.49 5.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.74 -42.33 87.28 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' CG ' HG12 ' A' ' 88' ' ' VAL . 21.4 mt-10 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.988 HD13 HD23 ' A' ' 8' ' ' LEU . 9.0 tp -75.24 -44.02 48.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.69 -43.24 38.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 1.052 ' CG ' HD21 ' A' ' 8' ' ' LEU . 19.7 t-105 -57.13 -22.85 43.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -90.96 11.26 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -130.25 6.84 4.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 16' ' ' TRP . 92.6 mt -87.37 134.5 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -96.83 156.49 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.021 HD23 ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -95.29 -31.54 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -113.23 152.44 45.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.61 2.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.63 -11.16 68.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 116.8 167.67 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 22.8 tttt 160.75 -60.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -169.66 179.44 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 3.8 pm0 -129.22 178.79 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 1.021 ' CE1' HD23 ' A' ' 21' ' ' LEU . 24.5 m-85 -87.46 151.0 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.58 -177.8 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.33 -19.0 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -45.57 69.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 33' ' ' HIS . 8.2 m170 -71.45 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.759 HG13 HD22 ' A' ' 8' ' ' LEU . 3.2 mm -67.48 -42.23 86.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 31' ' ' LEU . 24.9 t -65.69 -40.34 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CH2' HD12 ' A' ' 78' ' ' LEU . 46.8 t90 -63.91 -49.17 73.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.91 -36.93 80.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.45 ' CB ' H101 ' A' ' 1' ' ' MYR . 23.1 t -66.3 -40.12 89.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.7 tp10 -66.54 -39.72 88.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 60' ' ' ILE . 3.1 mm? -57.92 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -33.47 76.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -23.92 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.2 m-85 -85.02 12.2 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 68.14 9.58 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 41' ' ' LEU . 12.0 p -107.76 150.17 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.67 129.92 80.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.25 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.97 -21.61 53.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -65.33 -12.01 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 60' ' ' ILE . 46.6 mt -77.97 -0.45 27.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 6' ' ' SER . 10.4 pt-20 -76.25 -4.73 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -122.34 131.54 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -30.3 63.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.61 -49.05 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.38 95.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 13.1 p -64.27 -40.08 95.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -59.91 -38.98 83.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.65 -47.74 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.199 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 41' ' ' LEU . 74.3 mt -58.99 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -56.03 -44.14 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.54 -23.8 77.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -41.04 68.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 64' ' ' LEU . 6.1 mt -90.01 -14.92 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -40.26 -52.04 5.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.0 -33.7 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.528 ' OG ' HD21 ' A' ' 75' ' ' LEU . 24.5 p -56.9 -17.37 9.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' A' ' 79' ' ' TYR . 65.7 mt -67.09 -41.87 85.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.0 mm-40 -35.33 -67.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -116.6 40.01 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.519 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.67 172.34 46.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.08 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 p -93.19 168.76 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.77 -42.97 90.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.85 -44.56 80.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD21 ' OG ' ' A' ' 67' ' ' SER . 7.1 tt -59.52 -40.51 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.523 ' HG2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.38 -51.52 68.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -55.76 -35.97 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -64.41 -47.3 79.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.042 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -57.27 -42.27 81.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 4.6 m-80 -62.9 -43.35 99.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.518 HG23 ' HE2' ' A' ' 29' ' ' TYR . 8.0 m -60.72 -41.46 95.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.521 HG22 ' HG ' ' A' ' 61' ' ' LEU . 49.2 mt -63.34 -43.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -59.35 -39.05 81.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.013 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.3 t -67.27 -40.84 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 51' ' ' LEU . 1.1 tm? -62.81 -32.85 74.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -71.73 -45.11 62.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG21 ' A' ' 94' ' ' VAL . 5.4 p -63.26 -30.96 72.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.9 t -71.81 -43.98 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 51' ' ' LEU . 2.1 m-70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.443 ' CB ' HD12 ' A' ' 92' ' ' ILE . 4.3 mm-40 -87.03 -15.99 37.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 69.5 52.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mt -95.36 122.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.62 101.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.808 HG21 ' SG ' ' A' ' 87' ' ' CYS . 20.0 m -149.64 157.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 23.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -161.34 137.36 8.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.5 t -59.9 -41.9 92.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -45.04 92.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -65.65 -32.13 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.365 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.27 81.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 13.9 mt -64.6 -39.38 93.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.02 -38.18 90.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -49.0 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.653 HD12 ' HB1' ' A' ' 83' ' ' ALA . 25.6 mt -61.41 -39.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.86 -39.47 94.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.25 -54.98 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.02 -51.86 66.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -50.57 68.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -53.09 -48.74 67.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -42.89 91.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -56.24 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -51.19 -52.23 46.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -51.13 -52.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -51.88 -48.27 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -50.84 -51.89 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -58.03 -47.36 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.395 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -48.92 -45.92 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -69.2 -48.92 60.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -45.08 -43.6 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 122' ' ' THR . . . -81.6 -27.55 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ALA . 33.8 t70 -64.35 -24.91 67.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 120' ' ' ALA . 13.6 p 38.61 -155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.69 84.73 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -146.55 162.01 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -107.0 167.7 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.625 1.203 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.97 166.81 15.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -125.41 73.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.9 t -45.53 143.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -123.79 157.83 33.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -175.53 119.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.54 134.13 55.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.899 H142 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.15 65.48 6.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.21 101.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.84 164.05 10.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.63 53.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.871 HG21 H112 ' A' ' 1' ' ' MYR . 2.4 t -150.38 -79.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.022 HD11 HD12 ' A' ' 85' ' ' LEU . 5.3 mt -102.07 140.38 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -74.51 -176.9 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.65 -57.21 20.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.98 97.21 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.75 -31.02 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.352 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.05 -45.02 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.78 -41.58 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.733 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.8 -32.78 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 108.07 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.6 tt0 -90.14 33.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.69 -6.71 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 16' ' ' TRP . 1.8 mt -87.96 139.83 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 3.2 ptp180 -94.54 149.91 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.266 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.5 mt -77.57 -44.58 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -118.36 155.61 51.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.1 Cg_endo -75.02 -35.44 3.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 0.42 30.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.52 -169.97 46.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.28 47.52 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 10.1 mttt -123.12 149.06 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.211 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' C ' HD21 ' A' ' 21' ' ' LEU . 8.8 mt-30 -140.24 167.25 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -70.74 161.38 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -170.05 174.62 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.14 -22.44 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.37 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -71.22 -35.93 71.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.72 HG12 H143 ' A' ' 1' ' ' MYR . 11.2 mt -66.76 -38.74 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.0 t -69.27 -39.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.714 ' CE2' HD12 ' A' ' 78' ' ' LEU . 2.9 t90 -63.75 -49.22 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.22 -36.05 80.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 8.6 t -60.92 -45.69 93.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.11 99.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 44' ' ' PHE . 3.9 tp10 -57.1 -47.87 80.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 60' ' ' ILE . 2.7 mp -57.95 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.2 -33.03 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -80.01 -21.22 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.63 -8.99 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.64 41.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.0 p -125.0 147.6 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.953 ' CB ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.85 128.78 82.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.91 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.54 -38.37 94.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.953 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -67.96 -16.25 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.2 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD22 HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.67 -9.09 52.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.91 -4.91 46.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -112.53 133.86 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -29.18 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.44 -46.94 65.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.752 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -60.98 -42.46 99.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 85' ' ' LEU . 45.5 t -63.85 -43.43 96.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.33 -39.14 86.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -46.02 86.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 41' ' ' LEU . 11.4 mt -58.95 -50.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.9 -36.05 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -26.17 71.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.04 -38.13 61.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 68' ' ' LEU . 10.3 mt -88.94 -16.88 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -52.88 2.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -59.68 -25.87 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.47 -34.58 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.1 tt0 -36.29 -68.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -113.73 44.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.73 172.38 51.86 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.7 p -94.07 169.28 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -59.28 -43.02 92.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -44.36 78.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 68' ' ' LEU . 10.3 tt -61.4 -35.0 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -51.66 57.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.436 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 29.3 t -55.0 -38.46 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -65.13 -45.79 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' A' ' 68' ' ' LEU . 78.1 t80 -55.98 -43.09 77.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.519 ' HB3' HG22 ' A' ' 97' ' ' THR . 3.3 m-20 -65.1 -42.1 94.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.475 HG22 ' HH2' ' A' ' 16' ' ' TRP . 94.3 m -62.56 -41.87 99.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.84 -47.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -43.61 81.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.926 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.4 t -59.97 -41.54 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.022 HD12 HD11 ' A' ' 8' ' ' LEU . 5.5 tp -58.93 -46.05 88.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -61.99 -36.88 82.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.4 m -63.38 -41.54 98.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -67.99 -33.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 45.1 m-70 -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.626 ' HB3' HD12 ' A' ' 92' ' ' ILE . 22.6 tp60 -88.93 -15.93 33.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.9 52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -109.19 131.95 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.4 125.72 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 19' ' ' ILE . 1.4 m -123.42 171.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -146.03 -61.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.24 161.77 23.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.621 HG23 ' OH ' ' A' ' 29' ' ' TYR . 2.2 m -59.96 -37.01 78.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.15 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.404 ' CD ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -65.91 -32.02 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -65.33 -50.1 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 101' ' ' LEU . 1.5 mt -69.03 -30.99 69.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -68.44 -41.23 80.6 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.06 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.998 HD12 ' HB1' ' A' ' 83' ' ' ALA . 20.2 mt -63.74 -35.18 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -53.55 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.91 -51.09 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -56.02 -49.94 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.1 -49.03 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.195 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -42.84 91.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -56.14 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.062 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -51.27 -52.25 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -51.08 -51.97 48.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -51.66 -52.92 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.36 46.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -50.95 61.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -50.8 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.52 -58.34 8.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.48 -60.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.58 26.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.55 -63.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.1 t -77.5 169.26 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.78 147.8 1.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -170.84 167.6 7.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -177.15 166.0 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.59 170.45 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -149.53 171.38 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 129' ' ' SER . 8.6 p -116.23 168.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.432 ' H ' HG22 ' A' ' 128' ' ' VAL . 97.6 p -136.95 170.55 15.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.83 171.31 14.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -179.52 165.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.237 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.86 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.03 72.95 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 0.704 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.01 165.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 164.68 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -147.81 59.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.858 HG21 H122 ' A' ' 1' ' ' MYR . 3.2 t -134.41 -75.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -132.35 179.08 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -86.5 -179.3 6.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.63 -55.98 27.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.25 88.8 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 47.0 mt-10 -61.01 -31.59 71.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.42 -45.04 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -28.58 64.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -69.09 -33.2 73.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.028 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -90.76 31.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -118.1 -5.81 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.224 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.16 125.81 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -86.22 146.86 26.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.6 -40.35 49.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -107.96 152.97 41.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.05 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.01 -6.43 88.91 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.99 167.04 21.48 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.04 -60.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.63 179.69 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.0 169.92 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.567 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 3.3 m-85 -60.78 167.17 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 176.08 5.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.51 -25.47 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -45.21 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 2.2 m-70 -71.05 -35.96 72.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.86 HG12 H143 ' A' ' 1' ' ' MYR . 15.1 mt -62.85 -44.67 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -72.17 -30.86 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.407 ' CH2' ' HB3' ' A' ' 77' ' ' SER . 59.5 t90 -65.64 -45.67 82.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.77 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -68.58 -49.27 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -56.95 -35.12 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -70.59 -43.04 70.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HG2' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -60.64 -50.18 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 37' ' ' ALA . 3.4 mp -58.09 -51.13 70.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -56.07 -33.03 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -23.85 42.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 3.2 m-85 -84.93 11.73 8.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 72.18 14.88 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.62 150.08 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.831 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.8 m-80 -76.06 137.67 68.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -65.8 -25.68 71.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.084 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -65.64 -15.48 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.9 tp -92.65 -0.9 57.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 6.2 pt-20 -76.93 -4.89 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 52' ' ' GLU . 11.5 p -115.61 139.0 50.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -56.93 -31.69 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.38 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.078 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.18 -35.35 91.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HG23 ' A' ' 82' ' ' ILE . 45.2 t -66.5 -45.05 80.85 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.3 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.17 -48.61 81.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.084 HD11 HD11 ' A' ' 50' ' ' LEU . 3.4 mt -58.9 -44.87 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.778 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -54.84 -44.64 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.2 -22.73 78.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.37 -41.24 76.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.99 -11.83 25.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -36.93 -55.74 1.55 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.12 -34.05 4.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.475 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 3.4 t -56.85 -17.43 9.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.131 HD11 ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.1 -40.45 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.2 mm-40 -38.15 -42.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -141.81 34.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -78.19 172.77 55.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -88.84 170.42 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.67 94.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -44.7 75.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 71' ' ' GLY . 1.1 tt -59.59 -42.15 91.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -60.93 -50.97 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -55.13 -34.31 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.804 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -66.9 -47.38 71.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.131 ' CD1' HD11 ' A' ' 68' ' ' LEU . 10.0 t80 -56.75 -41.06 76.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.566 ' OD1' HD11 ' A' ' 101' ' ' LEU . 41.0 m-20 -65.28 -44.86 86.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -60.86 -42.34 97.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.778 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.5 mm -61.32 -44.02 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.757 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -48.43 78.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.411 1.07 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.922 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t -62.82 -38.12 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.84 HD13 H142 ' A' ' 1' ' ' MYR . 61.7 tp -59.99 -49.99 75.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.04 -34.95 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 25.9 t -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 84' ' ' VAL . 4.6 t -65.95 -35.5 75.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.523 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 76.2 m-70 -67.77 -29.91 69.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 92' ' ' ILE . 5.1 mm-40 -90.08 -16.18 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 67.22 51.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 90' ' ' GLN . 7.7 mt -109.39 132.07 58.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.78 138.76 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -149.62 171.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -47.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -134.02 173.72 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 6.0 t -65.83 -44.2 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -45.02 96.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.23 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.0 -44.85 91.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.72 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -58.02 -42.22 84.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -31.94 73.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -32.81 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.757 HD12 ' HB1' ' A' ' 83' ' ' ALA . 62.6 mt -75.09 -37.83 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.64 64.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -69.32 -36.94 77.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 1.4 tt0 -69.09 -48.06 63.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.58 -46.55 89.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -51.99 66.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.04 86.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.8 t -55.31 -55.65 29.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -52.01 -52.44 50.75 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -50.4 -50.3 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -52.83 -54.26 36.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.24 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -41.7 59.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -64.35 -65.26 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.63 -23.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.63 -37.06 31.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 117' ' ' GLN . . . -77.31 -15.68 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.66 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.7 t 38.74 51.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.64 -129.68 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -167.66 167.58 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -117.5 167.17 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.07 170.36 16.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.76 122.67 4.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t -113.02 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 170.36 9.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.133 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -147.85 171.38 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 63.63 148.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 29.6 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.777 H143 ' CD1' ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.91 -58.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -73.12 126.69 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.56 173.81 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -147.05 26.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.717 HG22 H102 ' A' ' 1' ' ' MYR . 2.2 t -104.57 -69.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -129.24 -176.07 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.63 -177.8 5.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -59.12 11.38 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.501 1.125 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.5 -48.44 55.13 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.4 mt-10 -60.79 -30.92 70.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' OE1' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -68.23 -45.14 74.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.221 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -68.94 -30.36 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.762 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -69.6 -28.16 65.7 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' OE1' HD12 ' A' ' 13' ' ' LEU . 3.8 mt-10 -90.1 31.0 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -4.89 10.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.23 121.14 37.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -84.63 140.2 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 33' ' ' HIS . 14.2 mt -69.93 -43.71 71.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CD ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -95.46 153.42 39.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.754 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 -16.24 66.41 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.72 168.47 13.62 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' CE ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 161.45 -60.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -168.19 169.46 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -119.79 164.2 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' A' ' 97' ' ' THR . 4.9 m-30 -51.03 177.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -179.17 174.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.45 -19.84 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -45.19 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CE1' HD11 ' A' ' 21' ' ' LEU . 52.3 m80 -71.21 -35.85 71.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.555 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 9.4 mt -66.76 -36.81 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.7 -38.91 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CH2' HD22 ' A' ' 78' ' ' LEU . 24.0 t90 -65.18 -45.37 85.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 107.952 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.749 ' CB ' H142 ' A' ' 1' ' ' MYR . . . -57.85 -50.43 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.425 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 12.0 p -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -42.99 99.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 13.0 tp10 -66.59 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.912 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -63.34 -51.05 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -32.96 74.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -22.99 58.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.673 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.83 -4.22 58.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.73 18.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.6 p -111.57 150.06 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.983 ' O ' HD12 ' A' ' 50' ' ' LEU . 12.3 m-20 -76.23 137.63 68.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' HB2' ' C7 ' ' A' ' 1' ' ' MYR . 18.4 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -36.84 90.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.036 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.3 -11.75 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.912 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.16 -0.71 57.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.2 pt-20 -78.5 -4.84 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.4 p -115.12 139.33 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -32.4 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.5 74.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.766 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -65.57 -40.29 95.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.3 t -64.02 -45.13 90.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 1.7 tmt_? -61.4 -37.35 83.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -46.73 85.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.96 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 mt -58.83 -49.03 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 79' ' ' TYR . 13.2 tp -55.97 -40.14 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.77 -27.1 72.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -37.5 67.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' GLN . 12.2 mt -88.75 -17.11 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -38.05 -53.47 2.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.95 -37.9 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -56.89 -17.63 10.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 79' ' ' TYR . 81.6 mt -63.5 -42.21 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -36.5 -68.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 t -113.54 37.4 3.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.28 172.87 54.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.564 1.165 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -94.47 167.83 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -58.58 -42.73 88.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.41 -44.48 78.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.14 -42.07 85.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.92 -50.45 72.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -56.24 -36.2 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.876 HD12 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.87 -47.17 78.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 68' ' ' LEU . 65.9 t80 -56.75 -43.02 80.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.65 -47.37 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' HH2' ' A' ' 16' ' ' TRP . 12.1 m -60.72 -41.55 95.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.876 HD11 HD12 ' A' ' 78' ' ' LEU . 21.5 mt -60.0 -45.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.02 76.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.2 t -60.02 -36.81 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -58.94 -46.93 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.681 ' CD2' HD11 ' A' ' 104' ' ' ILE . 68.3 t80 -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.639 ' SG ' HD13 ' A' ' 104' ' ' ILE . 83.8 m -57.15 -38.2 73.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.7 t -73.07 -40.08 58.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.81 ' CE1' HD22 ' A' ' 85' ' ' LEU . 40.9 m80 -65.63 -21.45 66.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.2 mm-40 -106.11 -3.74 21.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.14 56.43 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -103.99 131.99 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -47.0 117.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.6 m -128.58 171.28 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -163.55 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 1.7 p-10 -138.79 158.79 43.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' OH ' ' A' ' 29' ' ' TYR . 37.8 p -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -41.74 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 95' ' ' LYS . 34.7 tp10 -68.01 -32.36 72.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.845 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.04 -49.99 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 79' ' ' TYR . 6.3 tp -65.6 -34.3 77.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.07 -42.05 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -49.07 76.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -66.46 -35.01 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -65.48 -39.87 92.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.14 -47.63 70.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.265 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.91 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -48.77 67.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -64.1 -52.96 56.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -28.74 67.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -67.57 -57.19 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -54.22 -52.03 62.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -49.92 -49.85 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -53.09 46.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.81 -52.98 45.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.28 -49.44 61.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -51.95 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.07 -57.06 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.52 -48.76 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.72 -56.1 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.49 -62.6 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 123' ' ' GLY . 4.9 t -64.41 -48.29 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 122' ' ' THR . . . -154.58 -99.38 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.424 1.077 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 175.36 167.38 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -162.44 167.25 23.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.79 170.19 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -154.64 149.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.32 150.54 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.4 170.1 11.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.33 117.03 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -112.24 166.84 10.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 1.02 H143 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.09 154.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 0.801 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 57.41 94.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.93 177.7 6.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.62 48.38 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 ' CD2' ' A' ' 8' ' ' LEU . 3.3 t -121.31 -73.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.78 ' HG ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -130.69 171.2 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -176.67 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.07 -60.32 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.1 -49.45 43.18 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -60.91 -30.73 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.68 -45.26 79.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -43.87 97.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -71.28 -24.89 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.701 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.7 t-105 -68.01 -42.25 80.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.22 40.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.59 -12.21 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 4.1 mtt-85 -86.57 151.68 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' LYS . 38.1 mt -81.0 -35.97 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.35 153.25 81.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -35.99 2.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.65 -0.3 42.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.39 -170.59 43.71 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 47.06 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.826 ' HB3' HD12 ' A' ' 21' ' ' LEU . 5.6 mttt -126.43 160.38 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.8 -179.17 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.1 m-85 -70.47 152.87 43.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -162.57 175.06 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -57.08 -23.12 44.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -64.35 -45.57 87.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.615 ' CE1' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -71.2 -35.63 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 H131 ' A' ' 1' ' ' MYR . 10.4 mt -66.36 -37.53 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.5 t -70.46 -40.01 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CH2' HD12 ' A' ' 78' ' ' LEU . 44.7 t90 -63.71 -49.16 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.808 ' HB3' H132 ' A' ' 1' ' ' MYR . . . -60.77 -46.24 91.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 25.3 p -56.72 -42.99 80.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -39.71 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HG2' HD13 ' A' ' 78' ' ' LEU . 3.9 tp10 -67.42 -38.06 84.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.8 mm? -61.17 -51.21 70.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.86 -40.98 90.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.06 -23.55 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.2 m-85 -84.92 1.64 46.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.13 21.17 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 44' ' ' PHE . 27.9 t -96.96 150.13 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -75.73 124.07 88.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.461 ' HB2' ' C8 ' ' A' ' 1' ' ' MYR . 18.1 Cg_endo -74.93 -36.08 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.1 96.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.46 -15.76 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.721 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 60' ' ' ILE . 10.7 tp -81.57 -2.72 51.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -81.02 -4.93 56.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 p -112.84 143.87 43.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.4 p -56.87 -33.37 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.9 -49.01 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.83 -44.59 94.22 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.804 ' SG ' HD23 ' A' ' 85' ' ' LEU . 44.7 t -63.94 -37.43 87.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -40.03 87.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -52.05 66.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.715 HD13 HD13 ' A' ' 51' ' ' LEU . 5.3 mt -59.22 -40.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.75 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.99 -47.04 78.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -23.89 77.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -36.45 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 64' ' ' LEU . 5.4 mt -95.19 -16.24 22.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm-40 -38.35 -53.31 3.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -33.34 4.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -57.1 -17.3 10.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 ' CD1' ' A' ' 79' ' ' TYR . 22.4 mt -71.27 -40.55 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 tp60 -36.35 -40.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 t -146.72 40.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.86 172.77 50.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.39 167.63 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.83 -43.11 85.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.2 -44.56 79.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.077 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.9 tt -59.31 -41.56 89.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -61.14 -50.62 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -34.57 64.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -66.97 -47.08 72.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD11 ' A' ' 68' ' ' LEU . 20.7 t80 -56.97 -40.39 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.521 ' ND2' ' HG ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -65.14 -46.66 80.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.525 HG22 ' HH2' ' A' ' 16' ' ' TRP . 28.6 m -60.87 -40.96 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' SG ' ' A' ' 57' ' ' CYS . 44.1 mt -61.73 -44.1 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.13 -49.15 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.756 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.4 t -63.89 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.02 HD13 H143 ' A' ' 1' ' ' MYR . 23.8 tp -58.95 -37.24 76.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' A' ' 104' ' ' ILE . 41.4 t80 -76.05 -35.58 59.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' ILE . 46.3 m -59.03 -42.7 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 108.4 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.13 -47.25 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 14.7 m170 -55.19 -25.6 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.532 ' CB ' HD12 ' A' ' 92' ' ' ILE . 5.4 mm100 -96.23 -16.29 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.0 ttm180 81.12 51.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.532 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.1 mt -110.08 132.08 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.79 145.08 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.54 171.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -47.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 0.0 109.287 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.493 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -131.98 154.97 48.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.5 t -59.99 -32.68 71.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.57 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 mm-40 -64.16 -38.36 90.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.595 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.14 -35.65 71.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.855 HD21 ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -67.87 -45.3 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.02 -31.95 68.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.04 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.721 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -71.53 -36.86 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.0 -51.24 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.0 -51.02 69.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -55.55 -51.28 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -53.01 -48.35 67.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -42.99 91.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -57.57 -56.21 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -51.29 -52.5 44.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -50.9 -52.06 45.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -52.92 44.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.5 45.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.14 -51.02 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -50.97 60.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.57 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.68 -61.08 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 19.2 m -56.83 105.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.39 66.83 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -77.38 167.36 21.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.56 133.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -164.25 169.39 17.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.36 139.34 6.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t -113.5 143.66 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.6 m -75.02 170.05 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.09 171.16 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 63.54 94.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.639 ' H82' HG23 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.53 -63.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 0.731 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 8.2 ptt85 -111.29 51.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.88 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.41 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . 1.3 m -167.64 60.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.05 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.841 HG12 ' HG ' ' A' ' 8' ' ' LEU . 76.3 t -136.37 -51.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -143.85 135.44 26.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -51.38 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.52 -56.96 22.3 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.533 1.146 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.51 97.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 2.1 mm-40 -60.86 -30.92 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.64 -45.1 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.1 -48.33 82.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.49 80.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.658 ' HB2' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -56.95 -39.75 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.95 36.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -115.64 -9.41 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' GLN . 3.7 mp -86.97 143.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.363 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -101.62 150.37 23.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 33' ' ' HIS . 6.4 mt -83.16 -37.31 23.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -104.34 152.42 39.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.43 2.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.2 -9.64 72.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 114.59 168.34 15.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 tttt 161.31 -60.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.2 167.89 13.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.238 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 pm0 -123.26 168.07 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.771 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -58.82 167.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 179.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.05 -24.99 27.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.59 -45.01 88.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 21' ' ' LEU . 54.9 m80 -70.7 -35.97 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 42.5 mt -66.98 -36.38 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 31' ' ' LEU . 29.8 t -71.18 -39.99 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 41.1 t90 -64.0 -49.04 74.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -59.75 -51.21 70.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.455 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 3.9 p -56.95 -33.17 66.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -67.66 -43.03 81.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -67.41 -46.97 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.062 HD11 HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -60.73 -50.39 73.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.96 -42.86 72.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -72.36 -23.66 61.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.9 m-85 -84.95 -9.08 58.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.02 44.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.03 147.46 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 13.3 m-20 -76.01 126.27 87.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.06 -38.21 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.88 -19.5 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.15 -20.79 64.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 0.723 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 48' ' ' PRO . 2.0 mt -79.09 -0.96 33.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 37.8 tt0 -76.94 -4.96 46.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -125.05 141.24 52.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 25.6 p -57.28 -32.77 66.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.17 -49.12 63.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -56.74 -44.34 91.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.04 -41.85 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 5.7 ttp180 -62.11 -40.35 95.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.369 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.99 -52.06 66.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 41' ' ' LEU . 21.1 mt -59.75 -47.78 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -55.94 -42.76 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.85 73.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -72.52 -27.89 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.9 mt -91.95 -21.33 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -55.57 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -56.72 -35.09 68.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.18 -31.62 72.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LEU . 21.2 tm0? -34.21 -40.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -150.42 42.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.713 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.15 170.62 49.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 p -88.0 171.56 10.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.3 -42.57 95.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 -44.32 75.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.713 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.0 tt -61.11 -35.12 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' CG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.17 -48.31 68.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 t -54.87 -47.16 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -59.64 -47.05 87.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 1.7 t80 -58.31 -42.32 86.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.799 ' HA ' HD21 ' A' ' 101' ' ' LEU . 5.3 m-20 -59.72 -44.49 93.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' HH2' ' A' ' 16' ' ' TRP . 34.8 m -60.77 -41.48 95.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.062 HD11 HD11 ' A' ' 41' ' ' LEU . 6.5 mm -61.38 -46.23 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.79 -43.78 81.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.3 t -62.57 -37.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 8' ' ' LEU . 1.3 tm? -62.78 -38.1 89.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 17.0 t80 -76.2 -35.58 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -39.9 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.17 -47.16 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.867 ' CE1' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -53.14 -39.79 63.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.88 -16.28 36.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 72.96 61.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.7 mt -110.18 126.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -41.66 125.44 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 92' ' ' ILE . 3.9 m -145.31 171.31 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -157.1 -45.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.46 164.74 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -59.96 -33.95 72.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.162 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -40.31 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -47.98 83.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.99 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -64.53 -45.0 89.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -71.12 -37.34 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.5 HD11 ' HD2' ' A' ' 86' ' ' TYR . 3.5 mm -69.04 -34.91 66.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -39.97 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -51.47 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -52.02 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 65' ' ' GLN . 12.7 mm-40 -55.79 -50.45 70.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -53.24 -48.71 67.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -42.94 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 m -57.27 -56.29 23.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -52.53 45.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -51.51 50.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -51.64 -52.7 45.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.29 42.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.56 -48.3 63.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.619 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -51.81 -50.92 59.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 120' ' ' ALA . . . -61.26 -63.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -41.92 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -71.02 -59.57 2.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 0.3 OUTLIER 171.85 41.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 58.0 p 38.18 -156.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 177.53 115.43 0.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.81 166.89 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t30 176.35 152.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 m -164.85 165.87 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.95 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.93 98.09 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -107.8 176.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t 66.77 112.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -158.88 124.83 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -103.66 -55.47 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.762 H132 HD21 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.26 -62.2 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.401 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.39 132.56 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.88 160.09 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -130.01 50.48 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.733 HG12 HD13 ' A' ' 8' ' ' LEU . 3.0 t -147.42 -80.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 7' ' ' VAL . 4.9 mp -107.4 144.89 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -66.7 -175.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.994 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.48 -58.41 14.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.19 -38.75 88.2 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.75 -37.15 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -72.17 -45.23 61.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.2 -33.5 67.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.97 -39.53 29.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.786 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.7 -31.58 64.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HG3' HD13 ' A' ' 13' ' ' LEU . 21.9 mt-10 -88.95 29.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -2.83 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.9 mp -87.96 126.19 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 7.4 ptt180 -84.91 146.68 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 27' ' ' LYS . 17.9 mt -74.67 -35.39 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -128.83 153.83 79.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.37 3.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.18 -0.36 31.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.49 -168.22 44.43 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -138.58 48.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.774 ' CB ' HD12 ' A' ' 21' ' ' LEU . 13.0 mtmt -125.85 150.13 48.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -145.79 165.88 27.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 84' ' ' VAL . 4.2 m-30 -71.0 165.69 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.29 175.14 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -19.08 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -45.02 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -70.77 -35.42 72.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mm -63.17 -45.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.81 -34.0 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 31.8 t90 -63.79 -49.18 73.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.528 1.143 . . . . 0.0 108.084 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -64.44 -43.99 92.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.466 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 0.0 OUTLIER -57.01 -44.23 82.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -62.97 -43.0 99.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -57.07 -50.05 73.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.245 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 82' ' ' ILE . 2.5 mp -58.83 -51.08 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.88 -32.88 66.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -79.79 -23.08 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.3 m-85 -84.85 11.84 8.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.63 35.18 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 44' ' ' PHE . 3.0 t -124.73 150.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.749 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.1 m-20 -75.65 138.21 70.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.95 -30.09 77.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.51 -16.2 63.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD21 H132 ' A' ' 1' ' ' MYR . 37.9 tp -91.96 -0.75 57.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 6' ' ' SER . 4.8 pt-20 -76.59 -4.87 45.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 p -113.36 145.94 40.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 5.6 p -56.91 -34.35 67.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.11 -48.88 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.833 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.75 -39.23 95.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' A' ' 51' ' ' LEU . 1.8 t -63.92 -42.97 97.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -67.53 -35.94 80.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -65.17 -52.08 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -58.93 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 83' ' ' ALA . 14.3 tp -56.03 -38.98 71.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.04 -23.94 73.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -72.27 -40.83 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.298 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.5 mt -91.25 -16.79 27.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.836 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -38.37 -52.79 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.04 -39.33 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.772 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -15.71 18.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.101 HD11 ' CD1' ' A' ' 79' ' ' TYR . 11.0 mt -73.04 -37.21 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -43.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.6 p -139.44 41.89 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 75' ' ' LEU . . . -84.15 173.38 50.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.445 1.09 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 p -87.97 171.1 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -44.35 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 16.3 pt-20 -67.63 -41.86 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' CD2' ' HA3' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -49.26 78.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -55.89 -39.2 71.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -62.64 -47.12 85.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.101 ' CD1' HD11 ' A' ' 68' ' ' LEU . 7.7 t80 -57.95 -39.03 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.72 ' ND2' HD12 ' A' ' 101' ' ' LEU . 12.4 t-20 -63.76 -46.7 84.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.778 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.1 m -60.97 -42.78 98.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 41' ' ' LEU . 17.2 mm -61.23 -47.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.87 -45.59 82.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.902 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.1 t -62.43 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.647 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 2.6 tm? -59.24 -44.12 92.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 104' ' ' ILE . 38.4 t80 -61.94 -40.25 94.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.479 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.3 m -60.42 -45.0 95.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 108.378 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.9 t -64.78 -33.03 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m-70 -61.29 -49.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 3.09 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.71 63.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' CYS . 4.4 mt -106.74 132.03 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.3 122.27 9.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.424 ' C ' ' CE ' ' A' ' 95' ' ' LYS . 3.5 m -136.39 155.46 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' CE ' ' C ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -142.79 -47.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 1.8 p-10 -135.05 156.52 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 p -59.68 -32.24 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -70.07 -44.98 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.08 -33.39 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.528 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.84 -50.06 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.72 HD12 ' ND2' ' A' ' 80' ' ' ASN . 9.2 mt -65.9 -32.93 74.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -71.09 -41.97 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -49.08 71.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.664 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -65.21 -35.08 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.16 -39.96 82.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.05 -48.93 66.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -56.05 -48.92 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.77 -51.44 68.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -53.0 -48.78 67.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -59.04 -42.91 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 t -57.02 -56.27 23.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -51.14 -52.25 45.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.13 -52.2 46.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -52.86 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.38 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.29 -51.19 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.99 -50.82 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.36 -58.6 7.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.17 1.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -42.92 -61.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.41 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -44.41 -55.38 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.1 p -74.18 177.19 5.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.98 -59.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.97 167.42 21.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -134.53 167.53 20.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.72 169.76 17.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.14 158.31 41.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.26 139.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 m -75.34 -58.58 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 50.06 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.7 167.51 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.666 H112 HG11 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.61 103.88 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.41 159.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.25 152.33 18.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.173 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -114.79 -39.67 3.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG11 H112 ' A' ' 1' ' ' MYR . 2.6 t -65.32 -55.46 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -117.29 125.88 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -72.65 -173.35 1.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.69 -57.73 18.26 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.93 -42.35 92.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -75.26 -45.18 41.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.61 -39.8 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -41.6 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.784 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -56.98 -32.71 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 107.914 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.42 31.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -7.1 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.24 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 65.6 mtm-85 -84.67 149.64 25.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 27' ' ' LYS . 89.6 mt -80.45 -39.27 28.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 152.12 79.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -36.17 2.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.29 -0.62 50.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.1 -171.62 36.91 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.6 45.68 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.38 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HB3' HD12 ' A' ' 21' ' ' LEU . 17.2 mmtt -120.23 164.19 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.62 -179.05 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.2 m-85 -78.51 157.61 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.42 179.74 5.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -19.96 26.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -45.46 73.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.602 ' NE2' HD11 ' A' ' 21' ' ' LEU . 84.0 m-70 -71.02 -35.92 72.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.549 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 16' ' ' TRP . 82.6 mt -66.58 -44.13 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.82 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.831 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 44.0 t90 -63.76 -49.03 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -58.95 -37.52 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -41.05 97.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.09 -49.76 70.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -57.97 -45.96 85.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.4 -35.9 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -19.45 52.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.688 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -84.72 -8.88 58.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.33 32.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.0 p -123.42 150.19 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.75 136.25 70.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.52 56.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.01 -13.7 38.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.887 HD21 HD13 ' A' ' 60' ' ' ILE . 78.3 mt -81.77 -0.26 42.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 58.0 tt0 -76.05 -4.99 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 p -121.33 135.99 55.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -56.71 -31.21 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.38 -44.8 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.807 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.76 -45.34 96.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.64 -37.18 84.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 3.9 ttp180 -65.66 -36.25 83.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.84 -50.45 62.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.887 HD13 HD21 ' A' ' 51' ' ' LEU . 3.8 mt -58.81 -44.41 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.709 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.91 -49.54 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.08 -24.02 73.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.617 1.198 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.29 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -89.75 -16.84 29.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.04 -52.07 5.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.99 -35.33 3.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.0 m -56.89 -18.49 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.944 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 79' ' ' TYR . 10.5 mt -73.16 -39.53 65.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -36.0 -40.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 t -147.19 41.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.7 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.75 172.73 46.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -89.04 168.9 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -43.41 90.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -43.96 81.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.3 tt -60.46 -40.77 92.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.8 -47.9 83.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 1.5 t -57.06 -40.29 76.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.831 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -61.8 -47.19 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.113 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.6 t80 -56.17 -42.97 77.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.784 HG22 ' HH2' ' A' ' 16' ' ' TRP . 1.7 m -60.49 -42.9 97.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 61' ' ' LEU . 24.2 mm -61.06 -44.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.586 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.72 -44.49 81.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.7 t -65.17 -33.16 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.795 HD13 HD11 ' A' ' 8' ' ' LEU . 28.9 tp -66.63 -33.73 76.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.684 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.6 t80 -76.56 -41.34 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.711 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.9 p -59.85 -41.1 90.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.483 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -73.31 -47.27 47.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.681 ' NE2' HD11 ' A' ' 85' ' ' LEU . 5.1 m-70 -56.66 -24.83 51.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -98.34 -16.07 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 76.36 52.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 10.0 mt -106.78 120.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -41.77 135.76 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.711 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -139.8 171.31 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -148.36 -46.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 165.24 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 t -59.99 -36.28 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -70.07 -42.42 72.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.28 -32.03 72.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.85 -48.26 63.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HE2' ' A' ' 79' ' ' TYR . 7.2 tp -68.94 -31.73 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.09 -41.35 70.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -47.39 79.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.684 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -67.02 -35.07 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.37 -40.1 95.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.95 -53.47 26.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.99 -51.96 65.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -55.06 -50.95 67.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -52.98 -48.65 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -58.9 -42.96 90.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 m -57.23 -56.23 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.077 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -51.26 -52.41 45.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -52.11 45.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.64 -53.01 43.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.28 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.613 1.196 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -52.37 -51.22 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -52.01 -50.85 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.42 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.46 -62.06 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.49 -60.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -42.27 -49.71 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 74.5 m 64.25 112.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -179.71 -84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -54.44 167.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -152.04 -55.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t 53.36 96.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -175.36 126.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.33 137.32 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.54 170.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.938 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -107.4 171.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -43.84 131.0 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.1 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 1.035 H143 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.0 -70.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -57.56 147.04 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.79 164.39 13.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -156.07 64.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.674 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.8 t -141.35 -81.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 89' ' ' HIS . 2.7 mt -118.58 151.17 38.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -70.78 -174.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -57.94 17.2 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.05 -44.81 96.76 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -30.64 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.71 -45.07 60.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.22 -45.42 93.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -29.78 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.76 ' HH2' HG22 ' A' ' 81' ' ' THR . 1.3 t-105 -65.44 -37.17 86.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.76 34.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -116.99 -8.34 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.3 mp -87.41 138.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 29.7 mtt180 -93.11 152.45 19.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.823 HD12 ' CB ' ' A' ' 27' ' ' LYS . 21.3 mt -82.93 -37.35 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -130.62 152.31 80.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -36.18 2.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.76 -4.16 52.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.04 -170.85 45.44 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -138.53 47.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 0.723 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' CB ' HD12 ' A' ' 21' ' ' LEU . 11.7 mtpt -119.33 144.07 47.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -134.56 164.47 27.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.594 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -67.13 163.96 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.9 173.29 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.226 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.19 -22.31 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.69 -45.28 83.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 21' ' ' LEU . 41.9 m80 -71.26 -35.62 71.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.6 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 7.1 mt -68.25 -33.65 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.3 t -72.06 -42.7 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.99 -49.12 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.85 ' HB3' H132 ' A' ' 1' ' ' MYR . . . -61.74 -43.66 98.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 1.2 t -56.85 -42.87 80.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -63.6 -42.97 98.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.761 ' HB3' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -57.71 -48.18 80.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 2.6 mm? -57.81 -51.0 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.18 -34.26 63.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -23.8 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 5.2 m-85 -85.02 -0.22 53.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.68 45.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.05 145.76 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.548 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.4 t-20 -75.94 125.32 88.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' CB ' ' H72' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -75.07 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.66 93.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -70.01 -19.75 63.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.842 HD21 ' C12' ' A' ' 1' ' ' MYR . 8.3 tp -83.45 -0.65 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -76.79 -4.92 45.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.6 p -114.22 150.52 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 6.7 p -57.0 -36.42 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.16 73.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.94 92.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 46.6 t -63.9 -44.97 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.1 ttt180 -61.27 -42.72 99.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.01 -47.53 82.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 51' ' ' LEU . 20.6 mt -58.9 -44.99 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 15.4 tp -55.04 -43.57 73.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 65' ' ' GLN . . . -73.98 -23.01 77.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.27 -41.39 76.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 ' CD2' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -97.62 -10.0 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.92 -56.16 0.89 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 -32.55 5.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 64' ' ' LEU . 73.8 m -56.57 -21.43 26.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.41 -42.22 99.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -36.1 -65.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.423 ' CG2' ' OE1' ' A' ' 69' ' ' GLN . 4.7 p -117.33 37.03 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.22 171.44 54.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 171.46 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.84 -42.45 97.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.38 -44.04 79.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.2 tt -60.31 -36.11 77.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.48 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -40.92 85.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.56 -44.46 86.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 68' ' ' LEU . 54.7 t80 -55.79 -43.05 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.77 -43.45 88.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.76 HG22 ' HH2' ' A' ' 16' ' ' TRP . 5.3 m -60.69 -41.74 95.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.676 HG23 ' SG ' ' A' ' 57' ' ' CYS . 16.7 mm -64.27 -41.49 92.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.13 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.706 HG21 HG21 ' A' ' 19' ' ' ILE . 2.6 t -65.29 -31.05 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.035 HD13 H143 ' A' ' 1' ' ' MYR . 4.3 tp -68.21 -31.26 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 88.4 t80 -76.53 -43.13 40.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.717 ' SG ' HG11 ' A' ' 94' ' ' VAL . 8.5 p -61.1 -40.62 94.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -71.98 -47.12 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 8' ' ' LEU . 24.3 m-70 -54.17 -30.95 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -90.24 -16.37 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.6 mtp180 82.73 51.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -110.24 132.06 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -56.98 142.56 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.717 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -146.03 171.27 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -46.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.1 p -59.85 -28.01 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.08 -45.04 78.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -43.49 79.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -57.64 -49.98 74.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.203 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.4 tp -62.95 -35.49 80.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.33 -33.69 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -70.14 -47.83 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 25.8 mm -56.97 -43.05 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.72 -39.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -55.76 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.94 -50.63 70.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.99 -50.15 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -53.04 -49.06 67.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.92 -43.02 91.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -56.89 -56.39 22.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.94 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -51.67 47.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -51.69 -52.81 45.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -51.28 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.59 37.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.37 -46.47 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.05 -45.66 43.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.83 -37.18 62.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.26 -36.05 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.52 -60.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -40.5 -64.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.9 p 44.82 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.53 147.32 18.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.72 167.48 15.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.74 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -153.29 140.17 19.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 t -51.87 -58.52 6.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? 55.84 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.94 146.08 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.23 167.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.75 161.21 31.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -63.07 167.66 4.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 1.094 H142 HD22 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.4 170.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.364 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' ALA . 6.7 tpt180 -65.42 122.51 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.76 -175.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.66 60.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 85' ' ' LEU . 27.2 t -128.59 -46.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.97 HD12 ' HB3' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -160.15 161.79 33.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -58.77 173.32 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -54.74 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.81 -46.34 18.95 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.97 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.5 mp0 -69.32 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.361 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -60.11 -45.1 94.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -49.94 52.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -27.12 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -79.0 -41.29 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 107.995 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 30.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 -7.0 11.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.1 mt -87.57 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -88.47 153.47 21.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' A' ' 27' ' ' LYS . 55.2 mt -83.12 -40.5 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.1 mtt85 -120.14 153.99 55.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.99 -35.72 2.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 3.54 27.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.86 -170.89 43.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 44.54 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -120.01 161.04 21.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 6.8 pt20 -160.08 -179.13 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.94 177.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.0 -25.87 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -45.05 93.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 75.6 m-70 -70.66 -35.65 72.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.534 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.747 HG23 H122 ' A' ' 1' ' ' MYR . 17.8 mt -66.42 -37.07 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 31' ' ' LEU . 12.8 t -71.13 -39.78 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -63.86 -49.02 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 108.0 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -63.67 -40.22 96.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 t -56.99 -47.1 81.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.97 -43.09 99.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.22 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.724 ' HB3' HD22 ' A' ' 78' ' ' LEU . 1.1 tp10 -61.0 -42.51 98.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -64.21 -51.16 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.94 -34.54 63.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -26.17 39.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.734 ' CZ ' HD12 ' A' ' 75' ' ' LEU . 3.3 m-85 -85.75 14.07 6.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.53 39.76 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.407 ' CG1' HD23 ' A' ' 41' ' ' LEU . 3.6 t -124.98 150.03 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.7 m-80 -84.48 137.47 39.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.5 -22.81 69.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.064 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -63.84 -13.61 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 50' ' ' LEU . 75.9 mt -83.48 -0.79 51.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.77 -4.86 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 p -121.49 128.89 52.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 p -56.84 -28.27 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -48.96 55.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.17 -41.29 99.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.402 1.064 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 82' ' ' ILE . 3.7 t -63.94 -43.79 94.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -61.9 -38.63 89.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.44 -39.67 92.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.064 HD11 HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.25 -48.1 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.58 -43.89 76.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.33 -23.54 73.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -78.74 -22.56 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 7.9 mt -100.65 -31.63 11.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.46 -57.79 1.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -36.42 2.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -58.45 -16.11 13.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 79' ' ' TYR . 28.3 mt -63.16 -19.29 64.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -33.77 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.418 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 9.0 t -112.99 35.72 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.8 170.72 48.71 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -99.7 172.92 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.74 -42.02 98.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -44.94 76.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 9.9 tt -56.56 -43.64 80.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 3.6 mtm-85 -60.86 -50.92 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 t -55.72 -36.43 67.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 40' ' ' GLU . 1.4 tp -64.17 -47.25 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.24 -39.49 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.648 ' HA ' HD21 ' A' ' 101' ' ' LEU . 36.8 t-20 -62.62 -48.52 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.796 HG22 ' HH2' ' A' ' 16' ' ' TRP . 7.3 m -60.88 -41.77 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 57' ' ' CYS . 4.8 mm -65.1 -40.93 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.69 -49.19 75.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.017 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.5 t -61.66 -38.98 81.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.094 HD22 H142 ' A' ' 1' ' ' MYR . 14.6 tp -58.9 -45.48 90.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 24.9 t80 -61.97 -44.16 97.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -58.35 -37.72 75.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.239 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.2 t -69.88 -36.57 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.437 ' CE1' HG12 ' A' ' 7' ' ' VAL . 3.1 m-70 -72.98 -20.78 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.4 mm-40 -98.81 -1.85 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.12 54.1 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 90' ' ' GLN . 3.3 mt -107.47 132.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -49.23 135.08 17.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CA ' ' HE2' ' A' ' 95' ' ' LYS . 5.4 m -148.5 155.24 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' CG ' ' OE1' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -145.36 -53.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -119.97 153.95 35.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.497 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 75.0 m -59.99 -36.19 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.03 91.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.501 ' OE1' ' CG ' ' A' ' 95' ' ' LYS . 2.5 tt0 -62.66 -37.83 87.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -61.26 -49.43 77.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -62.07 -34.06 75.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.56 -37.21 76.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -48.92 63.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.474 HG13 ' HB1' ' A' ' 83' ' ' ALA . 3.4 mm -57.06 -42.56 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' HA ' ' CG ' ' A' ' 108' ' ' GLN . 51.7 tt0 -70.44 -30.06 66.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.06 -46.43 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -72.05 -51.47 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 105' ' ' GLU . 3.3 pp0? -54.98 -37.1 66.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -71.5 -44.55 64.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -37.58 77.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -67.17 -59.34 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -50.8 -29.63 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.332 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 3.9 ttpp -68.41 -57.82 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -51.61 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.29 -53.61 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.33 -49.61 61.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.93 -52.17 58.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.5 -56.82 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.48 -52.19 2.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.95 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -40.54 -59.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 43.0 p -62.57 -55.86 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 173.26 123.27 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -165.51 167.66 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -114.14 167.66 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.06 170.33 11.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -127.44 158.61 36.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.73 175.76 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.6 t -174.94 160.54 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -168.69 159.3 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -177.64 148.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 1.046 H142 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 4' ' ' ARG . . . 40.47 86.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.733 ' HG3' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 161.41 145.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 46.9 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.225 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.38 33.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.995 HG11 HD11 ' A' ' 85' ' ' LEU . 47.2 t -122.16 -42.29 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -159.32 -176.23 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.46 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.94 -178.51 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.75 -53.66 26.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.66 79.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.674 ' CB ' HD12 ' A' ' 8' ' ' LEU . 9.4 mt-10 -60.63 -40.97 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.54 -33.06 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.62 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -37.86 61.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.769 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.97 -39.31 74.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.19 27.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 -4.09 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.5 mp -87.29 147.09 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 12.2 ptp180 -99.61 153.11 19.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.5 mt -82.73 -38.75 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -112.13 153.37 44.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.95 -36.46 2.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.75 85.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 109.19 166.53 20.45 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 160.88 -60.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -164.96 177.68 7.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.31 173.27 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.782 ' CE1' HD23 ' A' ' 21' ' ' LEU . 4.2 m-85 -76.42 167.09 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 pttm 179.15 -179.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.96 -21.65 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.45 81.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.617 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -71.28 -35.78 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.562 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 15.2 mt -68.03 -34.31 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.733 HG22 ' HG3' ' A' ' 4' ' ' ARG . 4.5 t -71.56 -42.44 72.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 11.5 t90 -63.86 -49.15 73.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.42 -46.5 89.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.4 t -57.0 -40.94 77.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -62.67 -43.23 99.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE1' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.717 HD11 HG21 ' A' ' 60' ' ' ILE . 4.2 mm? -60.62 -51.13 70.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.39 -33.07 73.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -77.52 -21.26 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.79 -8.97 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.95 31.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -119.28 150.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.702 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.2 t30 -75.65 125.05 88.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.465 ' HB2' ' C7 ' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -74.99 -35.71 2.99 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.516 1.798 . . . . 0.0 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.06 -36.07 79.76 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -67.12 -11.84 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.564 0.802 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.81 HD23 ' C10' ' A' ' 1' ' ' MYR . 6.6 tp -74.0 -4.63 36.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.95 -4.88 46.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 p -115.88 137.28 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -56.82 -30.86 64.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -46.76 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -59.92 -44.03 97.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.773 ' SG ' HD23 ' A' ' 85' ' ' LEU . 14.9 t -63.89 -41.06 97.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.98 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.73 -49.18 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.717 HG21 HD11 ' A' ' 41' ' ' LEU . 8.7 mt -61.37 -45.3 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -55.78 -43.83 77.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.84 -23.77 75.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -70.65 -38.64 73.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD21 HD13 ' A' ' 82' ' ' ILE . 4.5 pp -98.22 -10.34 24.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.581 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.4 mt-30 -37.73 -52.96 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -29.5 8.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 t -57.83 -16.51 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.147 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.3 mt -71.99 -39.66 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.3 tt0 -35.74 -67.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -115.34 37.69 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.67 -174.09 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -104.59 167.77 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.86 -43.15 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -67.68 -44.28 78.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.35 -43.1 83.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -51.95 67.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -33.07 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.81 HD22 ' OE1' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -67.71 -46.99 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.147 ' CD1' HD11 ' A' ' 68' ' ' LEU . 9.5 t80 -56.78 -41.79 78.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -64.47 -45.75 86.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.483 HG23 ' CE2' ' A' ' 29' ' ' TYR . 18.3 m -60.65 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.694 HD13 HD21 ' A' ' 64' ' ' LEU . 10.0 mt -62.17 -38.41 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.207 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.135 ' HB1' HD11 ' A' ' 104' ' ' ILE . . . -60.46 -47.64 85.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 100' ' ' ALA . 25.0 t -59.85 -39.84 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.046 HD13 H142 ' A' ' 1' ' ' MYR . 8.9 tp -58.82 -44.88 90.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 58' ' ' ARG . 35.4 t80 -63.15 -40.04 96.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 6.0 t -58.59 -44.29 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.371 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.3 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.598 ' CE1' HG12 ' A' ' 7' ' ' VAL . 2.0 m-70 -70.17 -23.77 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.564 ' CB ' HD12 ' A' ' 92' ' ' ILE . 8.3 mm100 -93.56 -16.04 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 71.95 51.89 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -110.08 132.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.08 132.22 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 100' ' ' ALA . 2.9 m -149.56 171.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.35 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -117.28 162.32 18.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -39.77 85.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . 21.6 tp10 -66.34 -36.04 81.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB3' HG22 ' A' ' 84' ' ' VAL . . . -71.34 -50.07 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 6.7 tp -59.36 -42.15 90.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -71.25 -31.78 67.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -49.13 70.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.135 HD11 ' HB1' ' A' ' 83' ' ' ALA . 20.1 pt -71.68 -36.56 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.53 -39.98 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -51.88 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -48.92 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.03 -49.67 75.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.96 -50.15 64.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.393 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.8 91.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -55.47 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.5 mttt -57.17 -58.65 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.95 -42.5 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.14 -40.47 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' LYS . . . -58.64 -61.17 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -52.16 -39.56 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -54.79 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.572 ' HB1' ' HB ' ' A' ' 122' ' ' THR . . . -61.59 -51.6 67.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.69 -27.37 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.84 -57.37 3.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -164.41 72.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.572 ' HB ' ' HB1' ' A' ' 118' ' ' ALA . 6.7 t -57.83 107.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.11 -131.78 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.81 157.85 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.393 0.702 . . . . 0.0 109.375 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -45.64 130.56 9.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.4 p -165.48 168.08 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.18 120.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.54 176.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.4 t 62.89 127.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -169.98 147.12 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -156.15 160.41 39.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.917 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.21 -84.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.93 141.74 58.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -91.65 152.48 20.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.1 27.47 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.035 HG12 HD22 ' A' ' 8' ' ' LEU . 52.5 t -142.75 -56.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HG12 ' A' ' 7' ' ' VAL . 3.0 mm? -107.68 134.29 50.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.13 -166.97 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.73 -61.84 6.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.07 -39.09 46.37 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.97 -35.19 76.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 0.831 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 HD23 ' A' ' 31' ' ' LEU . 1.5 tp -75.79 -45.31 36.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.02 -32.88 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -83.91 -42.19 16.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -56.77 -25.88 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.034 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.4 tm-20 -89.83 32.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.71 -7.3 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.35 121.83 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -89.25 145.5 25.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.9 -37.27 40.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.364 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.86 152.07 38.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -39.35 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -14.66 75.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.23 168.48 13.76 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 27.9 tptt 160.9 -60.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -171.14 174.11 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.9 mt-30 -127.21 171.59 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.216 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 5.1 m-30 -59.24 156.29 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 178.99 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -58.67 -18.99 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.29 69.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -71.19 -37.81 72.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.529 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.917 HG12 H143 ' A' ' 1' ' ' MYR . 65.8 mt -65.75 -44.16 93.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.774 HG23 HD13 ' A' ' 31' ' ' LEU . 4.3 t -65.28 -37.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 29.9 t90 -63.7 -49.05 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.38 -38.25 88.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -57.07 -48.07 79.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -42.94 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CA ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.18 -46.29 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.808 HD21 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -57.97 -51.08 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.237 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.51 -32.9 67.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -20.99 44.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -84.74 12.51 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.04 34.19 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.782 HG22 HD12 ' A' ' 50' ' ' LEU . 6.9 p -125.02 150.8 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.17 138.09 72.16 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -33.13 4.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.3 -16.08 8.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.899 ' HB2' HD11 ' A' ' 60' ' ' ILE . 69.5 mt -62.41 -35.98 80.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 41' ' ' LEU . 6.5 mt -74.46 -3.46 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.79 -4.83 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 p -144.25 142.5 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -56.82 -30.75 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.74 -49.15 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.2 96.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.578 1.174 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 10.9 p -63.85 -39.68 94.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 2.8 tmt_? -59.95 -42.42 94.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.68 -45.55 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 50' ' ' LEU . 25.0 mt -58.94 -47.97 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.81 -43.96 77.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.88 77.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -40.73 67.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.34 -15.59 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -39.06 -52.56 3.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -36.38 2.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -57.74 -16.72 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.194 HD11 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -68.31 -40.36 81.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.5 tp-100 -36.11 -68.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -114.54 40.6 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.33 172.93 51.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -94.0 168.18 11.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.44 -43.25 88.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.78 -44.26 81.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.45 -39.84 88.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -61.95 -49.4 76.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.9 t -56.09 -37.81 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -64.14 -47.21 80.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.194 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.6 t80 -55.88 -43.05 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.483 ' HA ' HD13 ' A' ' 101' ' ' LEU . 9.0 t-20 -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.705 HG22 ' HH2' ' A' ' 16' ' ' TRP . 3.4 m -60.63 -42.18 96.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.72 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.2 mm -61.59 -42.96 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.863 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.658 HG22 ' CB ' ' A' ' 100' ' ' ALA . 3.5 t -63.47 -34.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 8' ' ' LEU . 37.5 tp -62.72 -36.47 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -74.22 -38.84 63.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.8 m -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.12 -47.09 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 2.7 m-70 -54.93 -25.04 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 1.5 mm-40 -98.14 -16.26 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 30.8 ttt180 80.17 52.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.03 132.05 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.51 127.66 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.73 171.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 99' ' ' GLU . 0.4 OUTLIER -146.04 -46.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.94 168.11 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 t -67.3 -35.22 79.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.98 77.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 10.7 tp10 -62.18 -48.05 81.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.6 tp -57.29 -41.12 79.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.23 -32.5 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -49.07 74.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.863 HD12 ' HB1' ' A' ' 83' ' ' ALA . 26.8 mt -69.51 -35.55 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.52 -39.94 94.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.08 -52.25 30.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -52.0 65.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.15 -50.63 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -52.96 -48.94 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -42.91 91.03 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.386 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -56.3 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.931 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -52.28 45.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -51.12 -52.04 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.95 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.14 -52.26 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -51.51 58.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -50.76 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.91 -58.07 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -45.55 -61.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.61 -61.09 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' GLY . 24.9 t0 -43.57 -48.79 7.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 84.1 m 66.72 -70.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' ASP . . . 134.53 60.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.43 140.23 40.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -108.14 -55.46 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m 62.63 168.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.19 -59.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t 60.98 102.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.84 168.34 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.956 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -177.5 144.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.92 157.31 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.845 H122 HG23 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.35 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -127.21 146.37 50.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.18 -175.66 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.15 -32.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.06 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.801 HG11 H121 ' A' ' 1' ' ' MYR . 3.4 t -74.43 -64.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 34' ' ' ILE . 35.0 mt -102.25 128.48 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 14.2 m -78.42 -170.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -55.0 32.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.94 -45.71 49.52 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.05 70.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD21 HD23 ' A' ' 31' ' ' LEU . 5.1 tp -75.21 -45.36 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.69 89.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -75.6 -37.2 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.744 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.99 -35.04 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -86.58 36.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -117.22 -9.5 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.4 mp -87.3 122.24 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -89.2 140.42 29.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD11 ' NE2' ' A' ' 33' ' ' HIS . 14.4 mt -72.98 -34.04 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.72 152.04 40.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -42.61 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.56 76.4 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 123.33 168.17 12.99 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.7 tttt 160.31 -59.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.66 175.02 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.8 pm0 -133.46 170.43 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.619 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 4.3 m-30 -55.96 144.96 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.15 179.18 7.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -57.51 -19.75 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -45.82 72.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.619 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -71.28 -35.79 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.555 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.845 HG23 H122 ' A' ' 1' ' ' MYR . 21.6 mt -67.2 -41.6 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 HD13 ' A' ' 31' ' ' LEU . 3.3 t -65.49 -41.11 90.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 1.088 ' CH2' HD12 ' A' ' 78' ' ' LEU . 45.4 t90 -63.71 -49.17 74.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.36 -40.79 87.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.408 ' CB ' H111 ' A' ' 1' ' ' MYR . 0.3 OUTLIER -63.22 -39.06 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -62.91 -42.98 99.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.28 -33.25 72.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -62.93 -51.27 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -33.0 74.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -29.74 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 1.3 m-30 -86.27 10.5 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.34 47.33 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.94 150.06 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.675 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.16 127.35 81.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.478 ' HB2' ' C8 ' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -75.02 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -63.08 -37.8 95.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.65 -11.85 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.41 -4.85 59.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 6.8 pt-20 -76.28 -4.84 44.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 p -104.27 139.33 39.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.3 -31.21 63.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -71.07 -47.67 57.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -38.91 96.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.3 t -66.33 -45.14 81.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 3.3 tmt_? -64.34 -35.91 82.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -49.0 76.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.487 HD13 HD11 ' A' ' 41' ' ' LEU . 6.0 mt -58.99 -48.05 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 83' ' ' ALA . 8.0 tp -55.89 -40.68 73.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.34 -23.92 76.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -40.98 67.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.9 -16.8 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.2 mt-30 -38.59 -52.73 3.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.06 -33.84 4.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 t -61.15 -14.39 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.095 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.6 mt -73.14 -35.2 66.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 57.1 mm-40 -37.19 -42.11 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -143.66 39.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.25 173.34 53.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.75 167.52 12.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.21 -43.14 87.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.42 -43.61 80.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' HA3' ' A' ' 71' ' ' GLY . 6.7 tt -60.6 -39.59 88.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.48 89.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -41.26 83.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.088 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.6 -44.68 89.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.095 ' CD1' HD11 ' A' ' 68' ' ' LEU . 3.4 t80 -55.74 -43.18 76.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.798 ' ND2' HD22 ' A' ' 101' ' ' LEU . 8.3 t-20 -64.85 -43.88 91.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -60.81 -42.4 97.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.456 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mm -61.49 -43.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.491 ' N ' HD13 ' A' ' 61' ' ' LEU . . . -56.54 -48.28 77.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.5 t -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 51' ' ' LEU . 13.0 tp -63.41 -37.73 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 104' ' ' ILE . 59.4 t80 -72.49 -34.56 67.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' ILE . 71.3 m -63.46 -45.1 92.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -71.15 -47.08 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 4.1 m80 -48.28 -43.61 32.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -86.86 -16.57 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER 76.69 63.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.2 mm -110.07 132.0 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.77 120.35 2.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.8 m -137.4 171.29 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.63 -46.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.01 155.54 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 t -60.64 -35.36 76.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.32 -42.19 79.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.527 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.798 HD22 ' ND2' ' A' ' 80' ' ' ASN . 7.7 tp -68.53 -38.5 80.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -71.07 -37.25 72.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -63.51 -49.05 75.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.8 -34.84 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -40.06 95.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.9 -52.0 34.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.99 -44.15 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.97 -35.85 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -53.02 61.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' SER . 17.4 ptpt -61.16 -39.42 90.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 6.8 p -63.3 -37.0 85.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -66.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -46.54 -42.55 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -58.92 -51.21 71.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.79 41.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.68 -46.72 89.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.82 -42.15 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.6 -38.35 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 122' ' ' THR . . . -53.96 -32.53 54.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -89.5 -55.72 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' THR . 14.5 t70 -42.7 -68.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 119' ' ' ALA . 15.6 p 38.73 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -164.6 123.68 1.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -165.43 163.17 19.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.256 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -156.2 119.49 4.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.09 146.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.24 72.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.24 143.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.12 169.97 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -156.69 150.01 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -135.3 166.44 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.827 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.58 -60.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -134.88 78.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.78 -175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.28 49.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 8' ' ' LEU . 3.2 t -140.77 -79.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 85' ' ' LEU . 5.4 mp -102.24 142.95 32.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -73.36 -178.27 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.39 -58.1 16.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.64 97.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 13.4 mt -75.01 -41.77 58.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.57 -37.16 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.77 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -57.01 -30.29 64.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 107.964 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.66 29.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -5.3 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.03 138.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 3.9 mtt85 -85.61 151.09 24.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD12 ' HB3' ' A' ' 27' ' ' LYS . 54.4 mt -82.25 -39.83 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -130.78 152.31 80.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.12 2.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.55 -0.42 55.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.61 -171.62 36.13 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.03 47.02 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -123.52 161.38 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.51 177.18 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.5 m-30 -76.0 175.4 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.63 174.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -54.95 -26.13 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.03 93.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 29' ' ' TYR . 87.8 m-70 -70.85 -35.94 72.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.827 HG12 H143 ' A' ' 1' ' ' MYR . 27.5 mt -66.25 -35.93 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.7 t -69.76 -46.65 73.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 78' ' ' LEU . 10.2 t90 -63.92 -34.86 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -66.18 -53.28 39.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB3' ' C10' ' A' ' 1' ' ' MYR . 21.7 p -57.03 -39.05 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -43.08 99.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 3.3 tp10 -63.23 -44.33 95.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 82' ' ' ILE . 1.3 mp -61.94 -51.0 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -55.01 -38.02 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -25.39 55.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.634 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.5 m-85 -85.3 -4.24 59.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.34 43.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG11 HD23 ' A' ' 41' ' ' LEU . 5.9 t -124.97 143.52 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' HB2' HD23 ' A' ' 50' ' ' LEU . 2.2 m120 -76.31 130.09 78.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.41 2.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.06 -20.57 71.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.032 HD11 HD11 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -70.57 -13.23 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 109.347 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD13 H132 ' A' ' 1' ' ' MYR . 36.0 mt -83.79 -2.59 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.92 -4.92 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 p -124.89 135.53 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 p -56.9 -30.79 64.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.39 -48.99 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.27 -43.49 93.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 6.5 m -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 86' ' ' TYR . 16.9 tpt85 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.032 HD11 HD11 ' A' ' 50' ' ' LEU . 19.5 mt -59.51 -49.06 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.93 -49.6 73.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.88 -29.4 74.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -24.14 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 68' ' ' LEU . 17.6 mt -88.0 -31.97 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -36.21 -53.88 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.01 -30.7 6.86 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' LEU . 67.1 m -56.27 -47.51 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -58.98 -29.27 67.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 58.9 tp60 -37.41 -40.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -146.32 31.15 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.92 52.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 p -96.38 169.58 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.29 -39.66 87.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.51 -47.04 68.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.6 tt -59.83 -39.45 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -47.64 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -47.0 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.94 -46.81 84.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD21 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.47 -42.61 82.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.473 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 88.1 m-20 -59.3 -45.62 90.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.77 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.5 m -60.72 -42.51 97.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 41' ' ' LEU . 5.0 mm -61.42 -43.34 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.596 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.89 -48.71 77.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.8 t -59.92 -37.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.752 ' HG ' H142 ' A' ' 1' ' ' MYR . 1.2 tm? -59.01 -46.74 87.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.686 ' CD2' HD11 ' A' ' 104' ' ' ILE . 22.5 t80 -61.85 -44.29 97.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 92' ' ' ILE . 1.1 m -56.92 -39.04 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' VAL . 19.2 t -65.73 -42.97 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CD2' HD13 ' A' ' 85' ' ' LEU . 37.2 m-70 -58.95 -35.96 74.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.01 -10.64 52.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.16 62.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.42 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.2 mt -109.97 130.83 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.85 130.77 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -142.23 159.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -39.55 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.79 157.46 46.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.0 t -59.95 -28.04 67.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -70.0 -38.97 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.07 -45.82 72.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -62.4 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.2 tp -68.98 -31.02 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -40.66 71.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -49.0 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.686 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.67 -34.97 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.1 -39.83 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.03 -47.75 64.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -51.92 66.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -53.97 50.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -54.68 -38.8 67.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -60.65 -42.04 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.9 m -68.45 -61.83 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -46.5 -41.97 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -56.26 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -50.36 -51.09 48.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.98 45.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.18 -51.06 60.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -50.9 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.44 -58.82 6.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.54 -61.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.53 -55.45 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.8 m -75.58 106.34 7.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -37.82 120.62 0.87 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 177.35 167.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.77 159.29 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.5 170.5 17.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.87 171.39 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.1 140.25 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.37 170.29 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -141.42 166.57 24.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -156.1 167.04 31.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.589 HG12 HD11 ' A' ' 85' ' ' LEU . 54.6 t -70.74 -59.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' A' ' 89' ' ' HIS . 80.1 mt -138.49 147.3 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.433 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -75.18 -177.14 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.22 -55.13 31.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.87 -44.69 97.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' OE2' ' CB ' ' A' ' 9' ' ' SER . 1.2 mp0 -60.78 -32.34 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 31' ' ' LEU . 5.8 mt -75.03 -36.93 61.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -40.5 97.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.62 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.741 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -56.96 -32.97 66.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 107.949 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.06 32.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -6.71 11.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.3 138.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 6.2 mtm180 -89.57 151.66 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.866 HD11 ' CE1' ' A' ' 33' ' ' HIS . 14.7 mt -83.84 -37.98 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -128.37 152.21 77.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.78 41.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.04 -171.14 41.63 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -134.71 45.64 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 24.6 mttt -112.45 156.23 22.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 2.5 pt20 -150.1 162.3 40.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -72.88 160.63 31.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.22 173.56 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -54.99 -27.12 41.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -45.25 93.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.866 ' CE1' HD11 ' A' ' 21' ' ' LEU . 10.8 m170 -69.64 -35.85 75.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.621 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 37.8 mt -65.64 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.51 -38.81 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CH2' HD12 ' A' ' 78' ' ' LEU . 39.4 t90 -63.83 -49.16 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.839 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -61.1 -43.66 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -59.29 -41.13 88.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -62.85 -43.09 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -68.09 -37.72 81.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -64.48 -51.05 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -34.99 75.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -24.87 56.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.691 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -85.01 -6.07 59.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.39 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -123.21 140.98 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.862 ' HB2' HD23 ' A' ' 50' ' ' LEU . 3.3 t30 -76.0 132.72 73.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -61.33 -40.77 99.09 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.947 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.03 -11.95 61.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 41' ' ' LEU . 1.3 tp -86.95 -0.68 56.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.2 pt-20 -76.51 -36.54 57.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -71.39 140.73 50.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -26.33 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.21 -48.95 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -37.17 93.82 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -67.49 -45.02 77.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 4.1 ttt-85 -64.84 -36.01 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -63.77 -48.52 76.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 41' ' ' LEU . 12.6 mt -58.93 -47.85 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 11.8 tp -55.99 -41.88 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.34 -24.0 77.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -32.85 59.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLN . 9.9 mt -93.43 -17.81 23.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.75 -53.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m -57.26 -17.57 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.191 HD11 ' CD2' ' A' ' 79' ' ' TYR . 5.0 mt -73.02 -39.26 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.7 tt0 -38.28 -43.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -140.75 37.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 75' ' ' LEU . . . -82.03 174.89 53.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 p -90.06 166.0 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.774 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.55 -42.42 82.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -67.98 -44.45 76.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD23 ' HA3' ' A' ' 71' ' ' GLY . 1.4 tp -58.29 -42.21 86.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -62.98 -48.5 78.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.8 m -57.8 -37.58 74.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.01 -47.09 81.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.191 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.8 t80 -56.94 -42.98 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.767 ' HA ' HD21 ' A' ' 101' ' ' LEU . 77.3 m-20 -62.91 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.689 HG22 ' HH2' ' A' ' 16' ' ' TRP . 17.6 m -60.98 -41.64 96.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 57' ' ' CYS . 24.2 mt -63.85 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.044 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -59.01 -46.42 88.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.1 t -60.0 -42.99 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD11 HG12 ' A' ' 7' ' ' VAL . 23.7 tp -58.88 -44.51 91.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.491 ' CZ ' ' OE1' ' A' ' 90' ' ' GLN . 7.0 t80 -61.97 -37.94 86.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.2 -44.68 96.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.284 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.1 t -65.22 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 8' ' ' LEU . 6.0 m-70 -66.74 -37.51 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -89.24 -5.35 57.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 73.77 54.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' HD2' ' A' ' 103' ' ' LYS . 30.3 mm -110.02 132.05 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.28 146.09 43.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.591 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -147.25 170.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -47.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.34 161.01 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 t -60.01 -31.79 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -44.98 68.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.15 -47.96 81.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.591 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -63.65 -38.79 92.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -40.66 97.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -70.95 -35.21 72.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 92' ' ' ILE . 8.0 tmtm? -63.15 -49.01 76.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.044 HD12 ' HB1' ' A' ' 83' ' ' ALA . 16.4 mt -70.3 -37.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG12 ' HG ' ' A' ' 8' ' ' LEU . 73.5 t -126.2 -81.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.987 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -121.86 172.42 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -179.68 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.82 -56.02 27.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.91 92.52 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 6.5 mt-10 -61.03 -31.68 71.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.35 -45.05 66.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -56.66 -50.55 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.94 -31.25 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 2.8 tt0 -91.07 27.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -119.63 -3.55 10.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.514 HD13 ' CG1' ' A' ' 84' ' ' VAL . 3.3 mt -87.07 130.12 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 91.1 mtt180 -93.69 145.71 24.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 ' CE1' ' A' ' 29' ' ' TYR . 8.5 mt -77.7 -48.83 15.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.11 153.19 38.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.39 0.1 81.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 97.27 167.17 32.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.09 -60.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.21 173.42 12.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 176.15 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.78 ' CE1' HD23 ' A' ' 21' ' ' LEU . 6.5 m-85 -72.62 156.09 39.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -160.93 -176.8 5.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.74 -24.03 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.06 86.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.666 ' HE1' HD11 ' A' ' 21' ' ' LEU . 12.1 m170 -71.0 -36.67 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.6 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 54.3 mt -64.44 -42.61 95.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 31' ' ' LEU . 5.1 t -69.52 -35.39 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CH2' HD22 ' A' ' 78' ' ' LEU . 26.0 t90 -63.99 -48.37 76.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 107.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.742 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -64.96 -41.77 95.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 m -57.01 -46.58 82.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -39.54 87.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 37' ' ' ALA . 4.4 mm? -63.11 -51.09 67.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.68 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CB ' HG12 ' A' ' 46' ' ' VAL . 2.1 m-85 -84.85 7.28 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.5 35.53 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -122.3 150.16 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.964 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.9 125.68 87.91 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.21 2.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.07 -35.91 86.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -70.1 -12.23 61.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -77.95 -11.26 59.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 6.3 pt-20 -76.97 -4.99 46.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -113.69 140.2 48.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -57.03 -31.58 65.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -49.07 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.863 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -62.93 -39.09 97.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 85' ' ' LEU . 5.1 t -64.01 -41.06 97.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.93 -35.95 81.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.18 -52.0 65.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -60.4 -42.18 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.718 HD22 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -55.97 -50.08 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 -23.91 75.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -33.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -91.47 -19.68 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.806 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.5 mt-30 -38.78 -55.81 2.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.95 -40.12 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -56.95 -17.58 10.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.4 mt -72.86 -39.91 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 23.7 tt0 -37.77 -53.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -129.3 36.77 4.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.21 173.26 53.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -89.75 168.79 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.41 -42.79 92.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.201 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.16 -44.68 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' HA3' ' A' ' 71' ' ' GLY . 7.9 tt -59.19 -42.08 90.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -61.53 -51.53 68.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -55.88 -35.41 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -65.25 -46.95 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.141 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.1 t80 -57.67 -42.47 83.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.614 ' OD1' HD21 ' A' ' 101' ' ' LEU . 82.7 m-20 -62.04 -47.02 86.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' HE2' ' A' ' 29' ' ' TYR . 40.2 m -60.95 -42.99 99.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.558 HD11 HD21 ' A' ' 41' ' ' LEU . 14.4 mm -61.2 -40.76 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.59 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -59.83 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.9 t -60.83 -39.81 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 85' ' ' LEU . 1.2 tm? -59.03 -44.98 91.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 104' ' ' ILE . 32.1 t80 -61.98 -43.57 98.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.547 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -57.49 -41.83 81.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 84' ' ' VAL . 10.5 t -67.2 -34.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 2.4 m-70 -61.05 -43.19 99.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -87.05 2.67 48.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 64.19 61.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 87' ' ' CYS . 7.1 mt -110.03 121.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.82 128.47 26.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -127.81 171.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -146.27 -47.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -140.96 170.7 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 21' ' ' LEU . 8.9 t -68.78 -37.35 79.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.473 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -38.66 75.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.85 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.45 -38.91 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.614 HD21 ' OD1' ' A' ' 80' ' ' ASN . 1.8 tp -68.95 -39.61 79.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -37.98 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -48.92 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -69.37 -34.93 64.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.819 HG12 HD11 ' A' ' 85' ' ' LEU . 44.0 t -66.34 -54.34 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.424 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.956 HD11 HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -130.68 149.86 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.22 -174.9 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.85 -55.68 27.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -45.12 96.73 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.67 -30.85 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.775 ' HG ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -73.7 -41.55 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -46.16 86.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -43.24 65.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 1.1 t-105 -56.96 -27.47 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.88 22.72 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -2.47 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CG1' ' A' ' 84' ' ' VAL . 4.2 mt -87.47 126.58 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 23' ' ' PRO . 12.3 ptp180 -93.64 136.54 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CE1' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -67.64 -40.76 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.03 151.54 44.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.0 -36.22 2.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 -12.9 51.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.51 -172.33 47.7 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.23 50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.6 100.43 10.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -87.7 135.41 33.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.736 ' HE2' HG23 ' A' ' 81' ' ' THR . 9.6 m-85 -57.52 160.77 3.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 -177.08 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -59.3 -18.8 40.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -68.88 -45.56 70.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.782 ' CE1' HD11 ' A' ' 21' ' ' LEU . 15.5 m170 -71.15 -38.3 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 HD11 ' A' ' 8' ' ' LEU . 31.6 mt -66.97 -39.04 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -65.95 -42.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.535 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 43.7 t90 -63.74 -49.13 74.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -58.96 -40.53 85.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 t -63.15 -39.46 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -43.11 99.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.49 -47.12 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.99 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -57.87 -47.19 83.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.87 -32.89 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -76.72 -19.94 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.693 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 1.2 m-85 -84.59 -8.42 58.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.54 38.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.99 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.13 147.77 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.686 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.95 129.91 79.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -60.88 -41.96 99.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.64 -11.91 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.956 HD22 HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -85.25 -0.82 55.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 9.7 pt-20 -76.63 -20.41 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -89.12 145.58 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 p -56.73 -31.4 64.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -49.09 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.805 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -44.84 92.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -63.97 -41.5 97.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -37.38 82.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.49 65.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 56' ' ' GLY . 3.5 mt -58.9 -46.28 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 79' ' ' TYR . 1.2 mt -55.9 -43.01 76.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.16 -23.94 77.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.5 -41.07 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.05 -16.57 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.2 mt-30 -38.72 -55.36 2.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 -39.7 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 m -56.95 -17.55 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.146 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.3 mt -73.08 -39.95 65.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -36.9 -40.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -145.89 39.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -81.08 172.65 54.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 p -87.04 171.15 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.03 -44.41 97.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 14.1 pt-20 -67.62 -41.59 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.755 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.2 tt -62.26 -41.97 98.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -61.33 -48.84 79.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -40.69 79.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.19 -47.25 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.146 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.0 t80 -57.5 -43.15 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.956 ' OD1' HD11 ' A' ' 101' ' ' LEU . 78.3 m-20 -60.23 -43.06 96.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.736 HG23 ' HE2' ' A' ' 29' ' ' TYR . 86.6 m -60.81 -42.14 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.852 HD11 HD11 ' A' ' 41' ' ' LEU . 31.9 mm -60.0 -45.41 95.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.06 -47.66 80.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 88' ' ' VAL . 41.9 t -59.89 -43.13 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.913 HD23 HD11 ' A' ' 51' ' ' LEU . 45.7 tp -59.57 -44.51 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CD1' HD11 ' A' ' 104' ' ' ILE . 6.6 t80 -61.91 -36.39 81.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.1 m -64.29 -43.81 93.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.2 t -66.13 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 52' ' ' GLU . 17.7 m-70 -62.41 -50.2 72.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' HB2' HD12 ' A' ' 92' ' ' ILE . 28.9 mm-40 -87.06 5.89 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.63 51.85 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -89.66 129.65 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.45 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 92' ' ' ILE . 1.6 m -122.38 171.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -174.06 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.39 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -134.46 159.99 39.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.2 m -69.74 -28.05 65.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 110.429 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -44.98 68.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.499 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 16.8 mm-40 -66.62 -47.78 71.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.65 74.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.956 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -66.65 -31.19 71.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -66.9 -41.41 87.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -65.93 -49.04 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.489 HG13 ' HB1' ' A' ' 83' ' ' ALA . 49.7 mm -61.83 -35.85 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.682 HG12 HD13 ' A' ' 8' ' ' LEU . 1.9 t -74.21 -62.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 13' ' ' LEU . 6.4 mp -112.24 152.57 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -176.81 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.04 25.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.55 -43.49 98.94 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG2' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -60.67 -31.93 71.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.311 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -75.5 -38.23 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.21 -35.32 79.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -83.05 -38.78 22.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -62.75 -30.4 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.62 23.95 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 0.08 9.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 94' ' ' VAL . 2.2 mp -87.34 133.42 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 80.6 mtt-85 -85.62 148.57 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD12 ' HB3' ' A' ' 27' ' ' LYS . 95.0 mt -76.06 -44.37 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.95 153.0 80.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.178 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.98 2.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.45 12.17 64.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.43 -170.89 17.62 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -138.15 47.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.828 ' HB3' HD12 ' A' ' 21' ' ' LEU . 1.3 tttt -123.73 159.55 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 74.3 mt-30 -144.62 175.87 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.708 ' CE1' HD23 ' A' ' 21' ' ' LEU . 13.0 m-85 -86.61 163.01 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.44 -177.62 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -25.57 53.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.17 93.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.63 ' HE1' HD11 ' A' ' 21' ' ' LEU . 8.2 m170 -71.26 -35.55 71.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.6 mm -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.96 -34.99 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.437 ' HH2' ' HG ' ' A' ' 77' ' ' SER . 38.6 t90 -63.91 -49.03 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.781 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -67.12 -40.29 86.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 p -56.91 -48.14 78.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -43.09 98.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.8 -38.05 86.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -64.96 -51.12 63.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -58.57 -32.9 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.09 -26.27 42.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.676 ' CE2' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -84.99 -0.54 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.99 42.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 41' ' ' LEU . 2.1 t -124.99 139.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.568 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.7 t-20 -75.95 131.97 75.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.11 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.87 99.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.04 -11.91 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 41' ' ' LEU . 11.5 tp -77.13 -10.34 59.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 7.3 pt-20 -76.88 -4.96 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -108.52 130.09 55.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -56.73 -27.58 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -49.07 48.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 50' ' ' LEU . . . -62.5 -39.25 97.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.7 t -68.03 -39.06 83.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -68.13 -35.98 78.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -52.09 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 HD11 HD11 ' A' ' 50' ' ' LEU . 22.7 mt -61.24 -49.64 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.653 ' HB2' HG22 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -55.72 -49.38 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.49 -23.94 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.47 -36.4 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.3 mt -88.83 -16.16 32.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -41.56 -54.16 6.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -24.91 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -60.98 -19.61 61.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.072 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 79' ' ' TYR . 1.4 mp -73.01 -32.82 65.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 11.2 tt0 -37.7 -40.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -144.46 39.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 175.21 39.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -88.36 166.75 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.82 -42.99 85.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -44.1 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.1 tt -59.88 -40.38 88.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' A' ' 68' ' ' LEU . 13.6 mtm180 -63.43 -48.78 76.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.437 ' HG ' ' HH2' ' A' ' 36' ' ' TRP . 39.7 t -57.48 -40.01 77.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -61.83 -47.08 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.063 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 t80 -57.02 -43.02 81.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.25 -44.32 97.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 m -61.02 -44.37 97.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.653 HG22 ' HB2' ' A' ' 61' ' ' LEU . 73.8 mt -59.87 -43.91 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -59.92 -34.89 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 8' ' ' LEU . 1.9 tm? -64.29 -44.02 92.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.6 ' CD2' HD11 ' A' ' 104' ' ' ILE . 19.8 t80 -61.9 -42.26 98.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.5 m -63.35 -39.52 94.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 84' ' ' VAL . 62.1 t -62.95 -38.52 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.645 ' CE1' HD12 ' A' ' 8' ' ' LEU . 3.0 m-70 -74.81 -24.73 58.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CD ' ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mt-30 -88.67 -8.16 55.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 76.76 65.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 1.007 HG22 HG13 ' A' ' 94' ' ' VAL . 16.2 mm -110.07 132.18 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.34 84.67 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.007 HG13 HG22 ' A' ' 92' ' ' ILE . 4.0 m -112.25 156.91 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.42 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.33 -0.88 8.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER -159.21 140.21 12.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 21' ' ' LEU . 4.3 t -59.96 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -44.08 93.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.489 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 12.3 mt-10 -68.11 -43.71 77.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.19 -47.91 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.05 -30.86 69.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.98 -40.31 87.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -70.01 -49.03 55.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.6 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.49 -34.94 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 85' ' ' LEU . 22.7 t -126.41 -68.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -133.54 179.54 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -179.61 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.98 -56.1 26.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -44.85 93.35 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 34.3 mm-40 -61.0 -33.77 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -44.94 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.98 -35.86 73.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.36 -37.33 44.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.753 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -61.29 -29.18 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.72 31.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -6.65 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.06 126.44 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 97' ' ' THR . 1.3 mtt85 -80.72 151.98 28.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -85.07 -44.22 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -102.52 153.72 37.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.1 -36.28 2.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -6.05 88.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.42 167.49 21.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.16 -60.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -171.28 -176.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.3 pm0 -129.67 172.93 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.814 ' OH ' HG22 ' A' ' 97' ' ' THR . 5.7 m-30 -59.41 178.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.35 175.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -56.28 -18.91 11.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.18 -45.07 67.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CE1' HD21 ' A' ' 21' ' ' LEU . 43.7 m80 -71.0 -36.87 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.557 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 14.3 mt -69.26 -37.75 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' LEU . 12.1 t -67.64 -40.46 84.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ2' HD12 ' A' ' 78' ' ' LEU . 4.1 t90 -63.95 -48.98 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -60.82 -39.29 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -43.02 99.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 78' ' ' LEU . 2.0 tp10 -58.44 -47.13 84.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 60' ' ' ILE . 3.8 mm? -57.94 -50.39 73.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -32.9 67.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -23.28 43.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CB ' HG12 ' A' ' 46' ' ' VAL . 3.2 m-85 -85.04 12.91 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 59.18 34.06 23.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -125.0 150.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 50' ' ' LEU . 97.1 m-20 -75.92 126.11 87.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -36.26 2.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.24 -24.24 58.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.38 -11.96 47.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HG ' ' A' ' 41' ' ' LEU . 13.2 mt -77.23 -0.89 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.74 -4.92 45.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -124.16 138.67 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' OE1' ' A' ' 90' ' ' GLN . 6.5 p -56.78 -32.72 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -72.62 -37.43 68.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -63.48 -46.88 91.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.584 1.177 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.9 p -68.83 -37.88 79.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -64.11 -38.35 90.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -47.45 69.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.205 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.965 HG21 HD11 ' A' ' 41' ' ' LEU . 41.7 mt -60.72 -50.18 81.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' A' ' 82' ' ' ILE . 2.9 tp -58.05 -36.26 72.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.34 -23.93 72.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.82 -41.18 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.9 pp -91.71 -13.8 31.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.1 mm-40 -40.17 -51.88 5.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -28.58 9.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -62.83 -12.98 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.078 HD11 ' CD1' ' A' ' 79' ' ' TYR . 3.9 mt -69.12 -33.51 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.4 tt0 -36.75 -65.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -116.8 38.41 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.45 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -80.45 173.3 54.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.0 p -94.11 167.4 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 0.733 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.14 -43.06 87.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -44.51 79.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD22 ' HA3' ' A' ' 71' ' ' GLY . 2.8 tt -59.61 -40.69 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -61.78 -50.51 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -55.12 -33.93 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.007 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -68.34 -46.87 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.078 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.7 t80 -55.82 -42.82 76.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.619 ' ND2' HD12 ' A' ' 101' ' ' LEU . 37.8 t-20 -66.21 -43.02 87.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.587 HG22 ' HH2' ' A' ' 16' ' ' TRP . 58.5 m -60.96 -41.6 96.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 61' ' ' LEU . 74.7 mt -65.15 -40.51 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.5 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -61.01 -40.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 8' ' ' LEU . 6.4 tp -59.01 -44.58 91.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 104' ' ' ILE . 20.5 t80 -61.99 -42.98 99.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.474 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -58.33 -41.9 85.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 84' ' ' VAL . 9.3 t -63.13 -42.13 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.557 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 88.4 m-70 -60.76 -35.21 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.541 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -86.98 2.93 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 64.02 52.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 87' ' ' CYS . 9.2 mt -110.09 131.98 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 171.25 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.354 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -146.39 -47.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -141.4 157.48 45.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.814 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.3 p -59.89 -37.58 79.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.82 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -68.03 -38.6 82.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.685 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.72 -37.83 76.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 ' ND2' ' A' ' 80' ' ' ASN . 4.3 mt -68.9 -41.45 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.03 -32.26 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.92 -49.05 66.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.72 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -70.28 -34.97 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.787 HG12 ' HG ' ' A' ' 8' ' ' LEU . 59.7 t -125.89 -78.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.787 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -132.44 174.07 10.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -77.64 -179.45 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.74 -55.91 27.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.66 85.19 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 9.4 mm-40 -61.41 -37.6 84.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -44.96 74.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -56.27 -43.28 78.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -70.95 -40.56 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.755 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -57.07 -30.84 64.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tt0 -90.81 30.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 -3.63 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.11 137.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 5.5 mtt-85 -103.92 145.57 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -80.27 -39.09 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -99.12 151.96 37.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -40.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.8 -9.86 80.16 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 115.28 168.99 15.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.73 -60.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.8 pttt -168.52 158.62 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 3.4 mt-30 -116.78 170.21 8.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 36.5 m-85 -63.42 169.81 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -179.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.22 -21.87 25.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -67.09 -45.25 77.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.756 ' HE1' HD11 ' A' ' 21' ' ' LEU . 7.9 m170 -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 3.0 mm -66.08 -42.42 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 31' ' ' LEU . 10.6 t -67.56 -37.94 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 40.1 t90 -63.86 -49.13 73.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.776 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.17 -36.09 74.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -41.9 95.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 5.2 tp10 -68.34 -38.57 81.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.992 HD11 HD13 ' A' ' 60' ' ' ILE . 3.6 mm? -57.94 -50.09 74.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -69.64 -21.41 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 2.2 m-85 -84.78 12.65 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.33 32.16 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.805 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -124.96 150.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.758 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 m-20 -75.57 138.02 70.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.5 90.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.005 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.48 -15.14 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.751 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.839 HD22 ' HG ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -90.44 -0.51 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.37 -4.82 44.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -112.04 143.5 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -33.3 66.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -41.94 72.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.05 -39.81 88.73 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.0 t -64.0 -45.03 90.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.6 ttp180 -67.69 -35.96 79.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.3 -51.21 68.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.992 HD13 HD11 ' A' ' 41' ' ' LEU . 25.8 mt -59.03 -50.13 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.1 tp -56.03 -37.33 69.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.37 -23.74 72.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -73.78 -41.1 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 79' ' ' TYR . 1.6 pp -94.66 -10.92 30.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.57 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -38.35 -52.73 3.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -57.08 -17.36 10.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 79' ' ' TYR . 41.7 mt -65.43 -41.7 93.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -36.81 -68.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 t -112.61 36.84 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.25 -176.86 51.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -100.91 166.68 10.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 110.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.3 -42.9 78.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.87 -44.5 76.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.95 -44.01 82.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -60.99 -51.69 68.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -55.28 -34.12 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.061 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -56.96 -43.01 81.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.495 ' CG ' HD11 ' A' ' 101' ' ' LEU . 3.4 m-80 -63.77 -43.9 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 ' HH2' ' A' ' 16' ' ' TRP . 2.0 m -60.79 -46.76 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.539 HG23 ' SG ' ' A' ' 57' ' ' CYS . 73.9 mt -60.1 -41.42 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.17 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.5 t -62.4 -40.85 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.583 HD23 ' CZ3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -58.97 -43.92 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.382 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.711 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.0 t80 -61.84 -45.09 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 m -56.97 -41.25 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 84' ' ' VAL . 11.0 t -66.08 -36.96 78.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 4.8 m-70 -62.0 -39.4 92.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.498 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.0 mt-30 -86.95 -4.99 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.48 56.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -109.97 127.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.04 132.77 54.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.16 157.99 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -130.51 -46.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -140.04 160.73 39.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.0 t -59.99 -45.37 92.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -40.54 94.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.95 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.87 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.495 HD11 ' CG ' ' A' ' 80' ' ' ASN . 13.1 mt -68.97 -48.75 62.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -67.54 -33.04 74.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.03 73.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.711 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -69.81 -34.91 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.4 t -94.23 -74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.052 HD21 ' CG ' ' A' ' 16' ' ' TRP . 1.9 tp -68.52 117.64 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.602 1.189 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -82.56 -175.66 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.17 -62.49 5.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.74 -42.33 87.28 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' CG ' HG12 ' A' ' 88' ' ' VAL . 21.4 mt-10 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.988 HD13 HD23 ' A' ' 8' ' ' LEU . 9.0 tp -75.24 -44.02 48.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.69 -43.24 38.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 1.052 ' CG ' HD21 ' A' ' 8' ' ' LEU . 19.7 t-105 -57.13 -22.85 43.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -90.96 11.26 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -130.25 6.84 4.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 16' ' ' TRP . 92.6 mt -87.37 134.5 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -96.83 156.49 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.021 HD23 ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -95.29 -31.54 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -113.23 152.44 45.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.61 2.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.63 -11.16 68.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 116.8 167.67 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 22.8 tttt 160.75 -60.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -169.66 179.44 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 3.8 pm0 -129.22 178.79 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 1.021 ' CE1' HD23 ' A' ' 21' ' ' LEU . 24.5 m-85 -87.46 151.0 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.58 -177.8 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.33 -19.0 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -45.57 69.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 33' ' ' HIS . 8.2 m170 -71.45 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.759 HG13 HD22 ' A' ' 8' ' ' LEU . 3.2 mm -67.48 -42.23 86.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 31' ' ' LEU . 24.9 t -65.69 -40.34 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CH2' HD12 ' A' ' 78' ' ' LEU . 46.8 t90 -63.91 -49.17 73.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.667 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.91 -36.93 80.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -66.3 -40.12 89.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.7 tp10 -66.54 -39.72 88.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 60' ' ' ILE . 3.1 mm? -57.92 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -33.47 76.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -23.92 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.2 m-85 -85.02 12.2 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 68.14 9.58 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 41' ' ' LEU . 12.0 p -107.76 150.17 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.67 129.92 80.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.25 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.97 -21.61 53.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -65.33 -12.01 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 60' ' ' ILE . 46.6 mt -77.97 -0.45 27.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 6' ' ' SER . 10.4 pt-20 -76.25 -4.73 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -122.34 131.54 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -30.3 63.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.61 -49.05 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.38 95.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 13.1 p -64.27 -40.08 95.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -59.91 -38.98 83.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.65 -47.74 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.199 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 41' ' ' LEU . 74.3 mt -58.99 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -56.03 -44.14 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.54 -23.8 77.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -41.04 68.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 64' ' ' LEU . 6.1 mt -90.01 -14.92 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -40.26 -52.04 5.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.0 -33.7 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.528 ' OG ' HD21 ' A' ' 75' ' ' LEU . 24.5 p -56.9 -17.37 9.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' A' ' 79' ' ' TYR . 65.7 mt -67.09 -41.87 85.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.0 mm-40 -35.33 -67.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -116.6 40.01 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.519 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.67 172.34 46.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.08 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 p -93.19 168.76 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.77 -42.97 90.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.85 -44.56 80.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD21 ' OG ' ' A' ' 67' ' ' SER . 7.1 tt -59.52 -40.51 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.523 ' HG2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.38 -51.52 68.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -55.76 -35.97 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -64.41 -47.3 79.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.042 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -57.27 -42.27 81.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 4.6 m-80 -62.9 -43.35 99.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.518 HG23 ' HE2' ' A' ' 29' ' ' TYR . 8.0 m -60.72 -41.46 95.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.521 HG22 ' HG ' ' A' ' 61' ' ' LEU . 49.2 mt -63.34 -43.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -59.35 -39.05 81.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.013 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.3 t -67.27 -40.84 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 51' ' ' LEU . 1.1 tm? -62.81 -32.85 74.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -71.73 -45.11 62.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG21 ' A' ' 94' ' ' VAL . 5.4 p -63.26 -30.96 72.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.9 t -71.81 -43.98 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 51' ' ' LEU . 2.1 m-70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.443 ' CB ' HD12 ' A' ' 92' ' ' ILE . 4.3 mm-40 -87.03 -15.99 37.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 69.5 52.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mt -95.36 122.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.62 101.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.808 HG21 ' SG ' ' A' ' 87' ' ' CYS . 20.0 m -149.64 157.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 23.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -161.34 137.36 8.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.5 t -59.9 -41.9 92.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -45.04 92.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -65.65 -32.13 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.365 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.27 81.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 13.9 mt -64.6 -39.38 93.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.02 -38.18 90.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -49.0 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.653 HD12 ' HB1' ' A' ' 83' ' ' ALA . 25.6 mt -61.41 -39.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.79 ' CG1' HD11 ' A' ' 85' ' ' LEU . 2.4 t -150.38 -79.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.022 HD11 HD12 ' A' ' 85' ' ' LEU . 5.3 mt -102.07 140.38 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -74.51 -176.9 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.65 -57.21 20.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.98 97.21 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.75 -31.02 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.352 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.05 -45.02 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.78 -41.58 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.733 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.8 -32.78 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 108.07 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.6 tt0 -90.14 33.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.69 -6.71 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 16' ' ' TRP . 1.8 mt -87.96 139.83 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 3.2 ptp180 -94.54 149.91 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.266 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD11 ' HE1' ' A' ' 33' ' ' HIS . 2.5 mt -77.57 -44.58 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -118.36 155.61 51.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.1 Cg_endo -75.02 -35.44 3.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 0.42 30.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.52 -169.97 46.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.28 47.52 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 10.1 mttt -123.12 149.06 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.211 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' C ' HD21 ' A' ' 21' ' ' LEU . 8.8 mt-30 -140.24 167.25 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -70.74 161.38 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -170.05 174.62 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.14 -22.44 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.37 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.696 ' HE1' HD11 ' A' ' 21' ' ' LEU . 7.2 m170 -71.22 -35.93 71.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 11.2 mt -66.76 -38.74 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.0 t -69.27 -39.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.714 ' CE2' HD12 ' A' ' 78' ' ' LEU . 2.9 t90 -63.75 -49.22 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.22 -36.05 80.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -60.92 -45.69 93.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.11 99.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 44' ' ' PHE . 3.9 tp10 -57.1 -47.87 80.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 60' ' ' ILE . 2.7 mp -57.95 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.2 -33.03 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -80.01 -21.22 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.63 -8.99 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.64 41.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.0 p -125.0 147.6 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.953 ' CB ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.85 128.78 82.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.91 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.54 -38.37 94.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.953 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -67.96 -16.25 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.2 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD22 HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.67 -9.09 52.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.91 -4.91 46.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -112.53 133.86 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -29.18 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.44 -46.94 65.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.752 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -60.98 -42.46 99.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 85' ' ' LEU . 45.5 t -63.85 -43.43 96.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.33 -39.14 86.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -46.02 86.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 41' ' ' LEU . 11.4 mt -58.95 -50.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.9 -36.05 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -26.17 71.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.04 -38.13 61.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 68' ' ' LEU . 10.3 mt -88.94 -16.88 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -52.88 2.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -59.68 -25.87 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.47 -34.58 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.1 tt0 -36.29 -68.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -113.73 44.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.73 172.38 51.86 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.7 p -94.07 169.28 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -59.28 -43.02 92.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -44.36 78.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 68' ' ' LEU . 10.3 tt -61.4 -35.0 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -51.66 57.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -38.46 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -65.13 -45.79 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' A' ' 68' ' ' LEU . 78.1 t80 -55.98 -43.09 77.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.519 ' HB3' HG22 ' A' ' 97' ' ' THR . 1.6 m120 -65.1 -42.1 94.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.475 HG22 ' HH2' ' A' ' 16' ' ' TRP . 94.3 m -62.56 -41.87 99.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.84 -47.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -43.61 81.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.926 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.4 t -59.97 -41.54 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.022 HD12 HD11 ' A' ' 8' ' ' LEU . 5.5 tp -58.93 -46.05 88.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -61.99 -36.88 82.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.4 m -63.38 -41.54 98.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -67.99 -33.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 45.1 m-70 -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.626 ' HB3' HD12 ' A' ' 92' ' ' ILE . 22.6 tp60 -88.93 -15.93 33.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.9 52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -109.19 131.95 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.4 125.72 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 19' ' ' ILE . 1.4 m -123.42 171.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -146.03 -61.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.24 161.77 23.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.621 HG23 ' OH ' ' A' ' 29' ' ' TYR . 2.2 m -59.96 -37.01 78.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.15 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.404 ' CD ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -65.91 -32.02 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.613 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -65.33 -50.1 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 101' ' ' LEU . 1.5 mt -69.03 -30.99 69.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -68.44 -41.23 80.6 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.06 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.998 HD12 ' HB1' ' A' ' 83' ' ' ALA . 20.2 mt -63.74 -35.18 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.556 HG12 ' HG ' ' A' ' 8' ' ' LEU . 3.2 t -134.41 -75.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -132.35 179.08 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -86.5 -179.3 6.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.63 -55.98 27.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.25 88.8 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 47.0 mt-10 -61.01 -31.59 71.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.42 -45.04 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -28.58 64.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -69.09 -33.2 73.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.028 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -90.76 31.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -118.1 -5.81 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.224 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.16 125.81 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -86.22 146.86 26.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 33' ' ' HIS . 9.3 mt -76.6 -40.35 49.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -107.96 152.97 41.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.05 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.01 -6.43 88.91 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.99 167.04 21.48 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.04 -60.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.63 179.69 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.0 169.92 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -60.78 167.17 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 176.08 5.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.51 -25.47 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -45.21 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CE1' HD21 ' A' ' 21' ' ' LEU . 42.1 m170 -71.05 -35.96 72.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.631 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 15.1 mt -62.85 -44.67 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -72.17 -30.86 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.407 ' CH2' ' HB3' ' A' ' 77' ' ' SER . 59.5 t90 -65.64 -45.67 82.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.77 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -68.58 -49.27 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -56.95 -35.12 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -70.59 -43.04 70.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HG2' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -60.64 -50.18 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 37' ' ' ALA . 3.4 mp -58.09 -51.13 70.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -56.07 -33.03 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -23.85 42.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 3.2 m-85 -84.93 11.73 8.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 72.18 14.88 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.62 150.08 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.831 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.8 m-80 -76.06 137.67 68.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -65.8 -25.68 71.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.084 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -65.64 -15.48 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.9 tp -92.65 -0.9 57.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 6.2 pt-20 -76.93 -4.89 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 52' ' ' GLU . 11.5 p -115.61 139.0 50.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -56.93 -31.69 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.38 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.078 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.18 -35.35 91.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HG23 ' A' ' 82' ' ' ILE . 45.2 t -66.5 -45.05 80.85 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.3 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.17 -48.61 81.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.084 HD11 HD11 ' A' ' 50' ' ' LEU . 3.4 mt -58.9 -44.87 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.778 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -54.84 -44.64 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.2 -22.73 78.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.37 -41.24 76.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.99 -11.83 25.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -36.93 -55.74 1.55 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.12 -34.05 4.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.475 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 3.4 t -56.85 -17.43 9.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.131 HD11 ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.1 -40.45 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.2 mm-40 -38.15 -42.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -141.81 34.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -78.19 172.77 55.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -88.84 170.42 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.67 94.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -44.7 75.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 71' ' ' GLY . 1.1 tt -59.59 -42.15 91.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -60.93 -50.97 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -55.13 -34.31 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.804 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -66.9 -47.38 71.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.131 ' CD1' HD11 ' A' ' 68' ' ' LEU . 10.0 t80 -56.75 -41.06 76.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.566 ' OD1' HD11 ' A' ' 101' ' ' LEU . 41.0 m-20 -65.28 -44.86 86.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -60.86 -42.34 97.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.778 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.5 mm -61.32 -44.02 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.757 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -48.43 78.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.411 1.07 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.922 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t -62.82 -38.12 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.582 HD21 ' HG ' ' A' ' 51' ' ' LEU . 61.7 tp -59.99 -49.99 75.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.04 -34.95 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 25.9 t -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 84' ' ' VAL . 4.6 t -65.95 -35.5 75.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.523 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 76.2 m-70 -67.77 -29.91 69.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 92' ' ' ILE . 5.1 mm-40 -90.08 -16.18 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 67.22 51.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 90' ' ' GLN . 7.7 mt -109.39 132.07 58.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.78 138.76 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -149.62 171.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -47.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -134.02 173.72 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 6.0 t -65.83 -44.2 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -45.02 96.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.23 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.0 -44.85 91.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.72 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -58.02 -42.22 84.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -31.94 73.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -32.81 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.757 HD12 ' HB1' ' A' ' 83' ' ' ALA . 62.6 mt -75.09 -37.83 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.584 HG12 HD23 ' A' ' 8' ' ' LEU . 2.2 t -104.57 -69.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -129.24 -176.07 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.63 -177.8 5.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -59.12 11.38 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.501 1.125 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.5 -48.44 55.13 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.4 mt-10 -60.79 -30.92 70.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' OE1' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -68.23 -45.14 74.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.221 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -68.94 -30.36 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.762 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -69.6 -28.16 65.7 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' OE1' HD12 ' A' ' 13' ' ' LEU . 3.8 mt-10 -90.1 31.0 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -4.89 10.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.23 121.14 37.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -84.63 140.2 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 33' ' ' HIS . 14.2 mt -69.93 -43.71 71.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CD ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -95.46 153.42 39.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.754 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 -16.24 66.41 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.72 168.47 13.62 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' CE ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 161.45 -60.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -168.19 169.46 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -119.79 164.2 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' A' ' 97' ' ' THR . 4.9 m-30 -51.03 177.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -179.17 174.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.45 -19.84 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -45.19 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CE1' HD11 ' A' ' 21' ' ' LEU . 52.3 m80 -71.21 -35.85 71.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 9.4 mt -66.76 -36.81 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.7 -38.91 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CH2' HD22 ' A' ' 78' ' ' LEU . 24.0 t90 -65.18 -45.37 85.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 107.952 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -57.85 -50.43 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 p -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -42.99 99.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 13.0 tp10 -66.59 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.912 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -63.34 -51.05 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -32.96 74.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -22.99 58.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.673 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.83 -4.22 58.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.73 18.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.6 p -111.57 150.06 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.983 ' O ' HD12 ' A' ' 50' ' ' LEU . 12.3 m-20 -76.23 137.63 68.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -36.84 90.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.036 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.3 -11.75 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.912 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.16 -0.71 57.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.2 pt-20 -78.5 -4.84 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.4 p -115.12 139.33 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -32.4 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.5 74.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.766 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -65.57 -40.29 95.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.3 t -64.02 -45.13 90.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 1.7 tmt_? -61.4 -37.35 83.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -46.73 85.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.96 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 mt -58.83 -49.03 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 79' ' ' TYR . 13.2 tp -55.97 -40.14 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.77 -27.1 72.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -37.5 67.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' GLN . 12.2 mt -88.75 -17.11 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -38.05 -53.47 2.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.95 -37.9 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -56.89 -17.63 10.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 79' ' ' TYR . 81.6 mt -63.5 -42.21 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -36.5 -68.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 t -113.54 37.4 3.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.28 172.87 54.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.564 1.165 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -94.47 167.83 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -58.58 -42.73 88.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.41 -44.48 78.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.14 -42.07 85.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.92 -50.45 72.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -56.24 -36.2 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.876 HD12 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.87 -47.17 78.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 68' ' ' LEU . 65.9 t80 -56.75 -43.02 80.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.65 -47.37 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' HH2' ' A' ' 16' ' ' TRP . 12.1 m -60.72 -41.55 95.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.876 HD11 HD12 ' A' ' 78' ' ' LEU . 21.5 mt -60.0 -45.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.02 76.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.2 t -60.02 -36.81 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD22 ' NE2' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -58.94 -46.93 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.681 ' CD2' HD11 ' A' ' 104' ' ' ILE . 68.3 t80 -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.639 ' SG ' HD13 ' A' ' 104' ' ' ILE . 83.8 m -57.15 -38.2 73.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.7 t -73.07 -40.08 58.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.61 ' NE2' HD22 ' A' ' 85' ' ' LEU . 91.5 m-70 -65.63 -21.45 66.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.2 mm-40 -106.11 -3.74 21.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.14 56.43 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -103.99 131.99 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -47.0 117.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.6 m -128.58 171.28 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -163.55 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.439 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 1.7 p-10 -138.79 158.79 43.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' OH ' ' A' ' 29' ' ' TYR . 37.8 p -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -41.74 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 95' ' ' LYS . 34.7 tp10 -68.01 -32.36 72.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.845 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.04 -49.99 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 79' ' ' TYR . 6.3 tp -65.6 -34.3 77.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.07 -42.05 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -49.07 76.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -66.46 -35.01 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 ' CD2' ' A' ' 8' ' ' LEU . 3.3 t -121.31 -73.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.78 ' HG ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -130.69 171.2 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -176.67 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.07 -60.32 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.1 -49.45 43.18 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -60.91 -30.73 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.68 -45.26 79.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -43.87 97.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -71.28 -24.89 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.701 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.7 t-105 -68.01 -42.25 80.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.22 40.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.59 -12.21 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 4.1 mtt-85 -86.57 151.68 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' LYS . 38.1 mt -81.0 -35.97 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.35 153.25 81.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -35.99 2.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.65 -0.3 42.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.39 -170.59 43.71 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 47.06 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.826 ' HB3' HD12 ' A' ' 21' ' ' LEU . 5.6 mttt -126.43 160.38 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -154.8 -179.17 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.1 m-85 -70.47 152.87 43.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -162.57 175.06 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -57.08 -23.12 44.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -64.35 -45.57 87.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.674 ' CE1' HD21 ' A' ' 21' ' ' LEU . 5.7 m170 -71.2 -35.63 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 10.4 mt -66.36 -37.53 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.5 t -70.46 -40.01 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CH2' HD12 ' A' ' 78' ' ' LEU . 44.7 t90 -63.71 -49.16 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -60.77 -46.24 91.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -56.72 -42.99 80.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -39.71 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HG2' HD13 ' A' ' 78' ' ' LEU . 3.9 tp10 -67.42 -38.06 84.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.8 mm? -61.17 -51.21 70.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.86 -40.98 90.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.06 -23.55 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.2 m-85 -84.92 1.64 46.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.13 21.17 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 44' ' ' PHE . 27.9 t -96.96 150.13 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -75.73 124.07 88.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.08 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.1 96.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.46 -15.76 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.721 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 60' ' ' ILE . 10.7 tp -81.57 -2.72 51.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -81.02 -4.93 56.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 p -112.84 143.87 43.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.4 p -56.87 -33.37 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.9 -49.01 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.83 -44.59 94.22 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.804 ' SG ' HD23 ' A' ' 85' ' ' LEU . 44.7 t -63.94 -37.43 87.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -40.03 87.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -52.05 66.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.715 HD13 HD13 ' A' ' 51' ' ' LEU . 5.3 mt -59.22 -40.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.75 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.99 -47.04 78.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -23.89 77.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -36.45 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 64' ' ' LEU . 5.4 mt -95.19 -16.24 22.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm-40 -38.35 -53.31 3.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -33.34 4.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -57.1 -17.3 10.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 ' CD1' ' A' ' 79' ' ' TYR . 22.4 mt -71.27 -40.55 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 tp60 -36.35 -40.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 t -146.72 40.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.86 172.77 50.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.39 167.63 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.83 -43.11 85.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.2 -44.56 79.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.077 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.9 tt -59.31 -41.56 89.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -61.14 -50.62 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -34.57 64.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -66.97 -47.08 72.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD11 ' A' ' 68' ' ' LEU . 20.7 t80 -56.97 -40.39 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 97' ' ' THR . 25.8 t-20 -65.14 -46.66 80.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.525 HG22 ' HH2' ' A' ' 16' ' ' TRP . 28.6 m -60.87 -40.96 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' SG ' ' A' ' 57' ' ' CYS . 44.1 mt -61.73 -44.1 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.13 -49.15 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.756 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.4 t -63.89 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.804 HD23 ' SG ' ' A' ' 57' ' ' CYS . 23.8 tp -58.95 -37.24 76.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' A' ' 104' ' ' ILE . 41.4 t80 -76.05 -35.58 59.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' ILE . 46.3 m -59.03 -42.7 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 108.4 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.13 -47.25 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.497 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 10.6 m-70 -55.19 -25.6 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.532 ' CB ' HD12 ' A' ' 92' ' ' ILE . 5.4 mm100 -96.23 -16.29 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.0 ttm180 81.12 51.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.532 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.1 mt -110.08 132.08 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.79 145.08 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.54 171.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -47.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 0.0 109.287 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.493 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -131.98 154.97 48.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 80' ' ' ASN . 9.5 t -59.99 -32.68 71.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.57 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.493 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 mm-40 -64.16 -38.36 90.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.595 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.14 -35.65 71.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.855 HD21 ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -67.87 -45.3 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.02 -31.95 68.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.04 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.721 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -71.53 -36.86 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.252 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.41 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . 1.3 m . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.841 HG12 ' HG ' ' A' ' 8' ' ' LEU . 76.3 t -136.37 -51.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -143.85 135.44 26.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -51.38 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.52 -56.96 22.3 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.533 1.146 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.51 97.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 2.1 mm-40 -60.86 -30.92 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.64 -45.1 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.1 -48.33 82.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.49 80.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.658 ' HB2' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -56.95 -39.75 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.95 36.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -115.64 -9.41 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' GLN . 3.7 mp -86.97 143.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.363 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -101.62 150.37 23.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 33' ' ' HIS . 6.4 mt -83.16 -37.31 23.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -104.34 152.42 39.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.43 2.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.2 -9.64 72.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 114.59 168.34 15.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 tttt 161.31 -60.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.2 167.89 13.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.238 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 pm0 -123.26 168.07 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.771 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -58.82 167.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 179.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.05 -24.99 27.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.59 -45.01 88.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 21' ' ' LEU . 54.9 m80 -70.7 -35.97 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 42.5 mt -66.98 -36.38 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 31' ' ' LEU . 29.8 t -71.18 -39.99 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 41.1 t90 -64.0 -49.04 74.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -59.75 -51.21 70.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 p -56.95 -33.17 66.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -67.66 -43.03 81.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -67.41 -46.97 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.062 HD11 HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -60.73 -50.39 73.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.96 -42.86 72.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -72.36 -23.66 61.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.9 m-85 -84.95 -9.08 58.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.02 44.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.03 147.46 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 13.3 m-20 -76.01 126.27 87.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.06 -38.21 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.88 -19.5 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.15 -20.79 64.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 0.723 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 48' ' ' PRO . 2.0 mt -79.09 -0.96 33.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 37.8 tt0 -76.94 -4.96 46.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -125.05 141.24 52.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 25.6 p -57.28 -32.77 66.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.17 -49.12 63.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -56.74 -44.34 91.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.04 -41.85 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 5.7 ttp180 -62.11 -40.35 95.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.369 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.99 -52.06 66.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 41' ' ' LEU . 21.1 mt -59.75 -47.78 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -55.94 -42.76 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.85 73.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -72.52 -27.89 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.9 mt -91.95 -21.33 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -55.57 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -56.72 -35.09 68.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.18 -31.62 72.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LEU . 21.2 tm0? -34.21 -40.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -150.42 42.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.713 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.15 170.62 49.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 p -88.0 171.56 10.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.3 -42.57 95.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 -44.32 75.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.713 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.0 tt -61.11 -35.12 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.557 ' CG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.17 -48.31 68.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 t -54.87 -47.16 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -59.64 -47.05 87.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 1.7 t80 -58.31 -42.32 86.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.799 ' HA ' HD21 ' A' ' 101' ' ' LEU . 5.3 m-20 -59.72 -44.49 93.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' HH2' ' A' ' 16' ' ' TRP . 34.8 m -60.77 -41.48 95.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.062 HD11 HD11 ' A' ' 41' ' ' LEU . 6.5 mm -61.38 -46.23 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.79 -43.78 81.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.3 t -62.57 -37.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 8' ' ' LEU . 1.3 tm? -62.78 -38.1 89.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 17.0 t80 -76.2 -35.58 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -39.9 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.17 -47.16 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.867 ' CE1' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -53.14 -39.79 63.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.88 -16.28 36.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 72.96 61.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.7 mt -110.18 126.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -41.66 125.44 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 92' ' ' ILE . 3.9 m -145.31 171.31 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -157.1 -45.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.46 164.74 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -59.96 -33.95 72.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.162 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -40.31 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -47.98 83.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.99 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -64.53 -45.0 89.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -71.12 -37.34 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.5 HD11 ' HD2' ' A' ' 86' ' ' TYR . 3.5 mm -69.04 -34.91 66.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.733 HG12 HD13 ' A' ' 8' ' ' LEU . 3.0 t -147.42 -80.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 7' ' ' VAL . 4.9 mp -107.4 144.89 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -66.7 -175.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.994 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.48 -58.41 14.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.19 -38.75 88.2 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.75 -37.15 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -72.17 -45.23 61.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.2 -33.5 67.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.97 -39.53 29.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.786 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.7 -31.58 64.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HG3' HD13 ' A' ' 13' ' ' LEU . 21.9 mt-10 -88.95 29.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -2.83 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.9 mp -87.96 126.19 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 7.4 ptt180 -84.91 146.68 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 27' ' ' LYS . 17.9 mt -74.67 -35.39 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -128.83 153.83 79.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.37 3.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.18 -0.36 31.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.49 -168.22 44.43 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -138.58 48.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.774 ' CB ' HD12 ' A' ' 21' ' ' LEU . 13.0 mtmt -125.85 150.13 48.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -145.79 165.88 27.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 84' ' ' VAL . 4.2 m-30 -71.0 165.69 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.29 175.14 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -19.08 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -45.02 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -70.77 -35.42 72.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mm -63.17 -45.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.81 -34.0 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 31.8 t90 -63.79 -49.18 73.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.528 1.143 . . . . 0.0 108.084 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -64.44 -43.99 92.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -44.23 82.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -62.97 -43.0 99.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -57.07 -50.05 73.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.245 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 82' ' ' ILE . 2.5 mp -58.83 -51.08 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.88 -32.88 66.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -79.79 -23.08 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.3 m-85 -84.85 11.84 8.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.63 35.18 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 44' ' ' PHE . 3.0 t -124.73 150.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.749 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.1 m-20 -75.65 138.21 70.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.95 -30.09 77.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.51 -16.2 63.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.757 ' N ' HD13 ' A' ' 50' ' ' LEU . 37.9 tp -91.96 -0.75 57.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 6' ' ' SER . 4.8 pt-20 -76.59 -4.87 45.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 p -113.36 145.94 40.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 5.6 p -56.91 -34.35 67.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.11 -48.88 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.833 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.75 -39.23 95.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' A' ' 51' ' ' LEU . 1.8 t -63.92 -42.97 97.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -67.53 -35.94 80.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -65.17 -52.08 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -58.93 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 83' ' ' ALA . 14.3 tp -56.03 -38.98 71.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.04 -23.94 73.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -72.27 -40.83 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.298 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.5 mt -91.25 -16.79 27.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.836 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.37 -52.79 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.04 -39.33 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.772 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -15.71 18.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.101 HD11 ' CD1' ' A' ' 79' ' ' TYR . 11.0 mt -73.04 -37.21 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -43.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.6 p -139.44 41.89 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 75' ' ' LEU . . . -84.15 173.38 50.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.445 1.09 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 p -87.97 171.1 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -44.35 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 16.3 pt-20 -67.63 -41.86 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' CD2' ' HA3' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -49.26 78.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -55.89 -39.2 71.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -62.64 -47.12 85.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.101 ' CD1' HD11 ' A' ' 68' ' ' LEU . 7.7 t80 -57.95 -39.03 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.72 ' ND2' HD12 ' A' ' 101' ' ' LEU . 12.4 t-20 -63.76 -46.7 84.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.778 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.1 m -60.97 -42.78 98.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 41' ' ' LEU . 17.2 mm -61.23 -47.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.87 -45.59 82.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.902 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.1 t -62.43 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.647 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 2.6 tm? -59.24 -44.12 92.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 104' ' ' ILE . 38.4 t80 -61.94 -40.25 94.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.479 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.3 m -60.42 -45.0 95.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 108.378 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.9 t -64.78 -33.03 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m-70 -61.29 -49.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 3.09 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.71 63.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' CYS . 4.4 mt -106.74 132.03 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.3 122.27 9.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.424 ' C ' ' CE ' ' A' ' 95' ' ' LYS . 3.5 m -136.39 155.46 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' CE ' ' C ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -142.79 -47.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 1.8 p-10 -135.05 156.52 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 p -59.68 -32.24 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -70.07 -44.98 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.08 -33.39 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.528 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.84 -50.06 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.72 HD12 ' ND2' ' A' ' 80' ' ' ASN . 9.2 mt -65.9 -32.93 74.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -71.09 -41.97 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -49.08 71.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.664 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -65.21 -35.08 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.579 HG12 HD12 ' A' ' 8' ' ' LEU . 2.6 t -65.32 -55.46 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -117.29 125.88 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -72.65 -173.35 1.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.69 -57.73 18.26 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.93 -42.35 92.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -75.26 -45.18 41.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.61 -39.8 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -41.6 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.784 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -56.98 -32.71 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 107.914 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.42 31.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -7.1 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.24 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 65.6 mtm-85 -84.67 149.64 25.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 27' ' ' LYS . 89.6 mt -80.45 -39.27 28.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 152.12 79.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -36.17 2.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.29 -0.62 50.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.1 -171.62 36.91 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.6 45.68 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.38 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HB3' HD12 ' A' ' 21' ' ' LEU . 17.2 mmtt -120.23 164.19 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.62 -179.05 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.2 m-85 -78.51 157.61 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.42 179.74 5.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -19.96 26.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -45.46 73.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.802 ' CE1' HD11 ' A' ' 21' ' ' LEU . 63.5 m80 -71.02 -35.92 72.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.549 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 16' ' ' TRP . 82.6 mt -66.58 -44.13 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.82 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.831 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 44.0 t90 -63.76 -49.03 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -58.95 -37.52 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -41.05 97.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.09 -49.76 70.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -57.97 -45.96 85.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.4 -35.9 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -19.45 52.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.688 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -84.72 -8.88 58.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.33 32.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.0 p -123.42 150.19 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.75 136.25 70.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.52 56.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.01 -13.7 38.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.887 HD21 HD13 ' A' ' 60' ' ' ILE . 78.3 mt -81.77 -0.26 42.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 58.0 tt0 -76.05 -4.99 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 p -121.33 135.99 55.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -56.71 -31.21 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.38 -44.8 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.807 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.76 -45.34 96.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.64 -37.18 84.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 3.9 ttp180 -65.66 -36.25 83.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.84 -50.45 62.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.887 HD13 HD21 ' A' ' 51' ' ' LEU . 3.8 mt -58.81 -44.41 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.709 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.91 -49.54 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.08 -24.02 73.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.617 1.198 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.29 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -89.75 -16.84 29.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.04 -52.07 5.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.99 -35.33 3.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.0 m -56.89 -18.49 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.944 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 79' ' ' TYR . 10.5 mt -73.16 -39.53 65.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -36.0 -40.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 t -147.19 41.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.7 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.75 172.73 46.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -89.04 168.9 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -43.41 90.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -43.96 81.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.3 tt -60.46 -40.77 92.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.8 -47.9 83.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 1.5 t -57.06 -40.29 76.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.831 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -61.8 -47.19 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.113 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.6 t80 -56.17 -42.97 77.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.784 HG22 ' HH2' ' A' ' 16' ' ' TRP . 1.7 m -60.49 -42.9 97.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 61' ' ' LEU . 24.2 mm -61.06 -44.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.586 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.72 -44.49 81.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.7 t -65.17 -33.16 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.795 HD13 HD11 ' A' ' 8' ' ' LEU . 28.9 tp -66.63 -33.73 76.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.684 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.6 t80 -76.56 -41.34 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.711 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.9 p -59.85 -41.1 90.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.483 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -73.31 -47.27 47.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.681 ' NE2' HD11 ' A' ' 85' ' ' LEU . 5.1 m-70 -56.66 -24.83 51.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -98.34 -16.07 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 76.36 52.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 10.0 mt -106.78 120.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -41.77 135.76 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.711 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -139.8 171.31 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -148.36 -46.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 165.24 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 t -59.99 -36.28 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -70.07 -42.42 72.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.28 -32.03 72.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.85 -48.26 63.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HE2' ' A' ' 79' ' ' TYR . 7.2 tp -68.94 -31.73 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.09 -41.35 70.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -47.39 79.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.684 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -67.02 -35.07 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.674 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.8 t -141.35 -81.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 89' ' ' HIS . 2.7 mt -118.58 151.17 38.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -70.78 -174.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -57.94 17.2 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.05 -44.81 96.76 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -30.64 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.71 -45.07 60.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.22 -45.42 93.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -29.78 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.76 ' HH2' HG22 ' A' ' 81' ' ' THR . 1.3 t-105 -65.44 -37.17 86.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.76 34.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -116.99 -8.34 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.3 mp -87.41 138.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 29.7 mtt180 -93.11 152.45 19.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.823 HD12 ' CB ' ' A' ' 27' ' ' LYS . 21.3 mt -82.93 -37.35 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -130.62 152.31 80.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -36.18 2.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.76 -4.16 52.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.04 -170.85 45.44 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -138.53 47.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 0.723 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' CB ' HD12 ' A' ' 21' ' ' LEU . 11.7 mtpt -119.33 144.07 47.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -134.56 164.47 27.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.594 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -67.13 163.96 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.9 173.29 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.226 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.19 -22.31 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.69 -45.28 83.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 21' ' ' LEU . 41.9 m80 -71.26 -35.62 71.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.6 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 7.1 mt -68.25 -33.65 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.3 t -72.06 -42.7 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.99 -49.12 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' ' CD2' ' A' ' 41' ' ' LEU . . . -61.74 -43.66 98.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -56.85 -42.87 80.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -63.6 -42.97 98.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.761 ' HB3' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -57.71 -48.18 80.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 2.6 mm? -57.81 -51.0 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.18 -34.26 63.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -23.8 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 5.2 m-85 -85.02 -0.22 53.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.68 45.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.05 145.76 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.548 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.4 t-20 -75.94 125.32 88.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.66 93.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -70.01 -19.75 63.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 ' HB2' HD11 ' A' ' 60' ' ' ILE . 8.3 tp -83.45 -0.65 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -76.79 -4.92 45.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.6 p -114.22 150.52 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 6.7 p -57.0 -36.42 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.16 73.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.94 92.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 46.6 t -63.9 -44.97 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.1 ttt180 -61.27 -42.72 99.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.01 -47.53 82.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 51' ' ' LEU . 20.6 mt -58.9 -44.99 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 15.4 tp -55.04 -43.57 73.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 65' ' ' GLN . . . -73.98 -23.01 77.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.27 -41.39 76.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.534 ' CD2' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -97.62 -10.0 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.92 -56.16 0.89 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 -32.55 5.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 64' ' ' LEU . 73.8 m -56.57 -21.43 26.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.41 -42.22 99.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -36.1 -65.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.423 ' CG2' ' OE1' ' A' ' 69' ' ' GLN . 4.7 p -117.33 37.03 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.22 171.44 54.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 171.46 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.84 -42.45 97.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.38 -44.04 79.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.2 tt -60.31 -36.11 77.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.48 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -40.92 85.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.56 -44.46 86.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 68' ' ' LEU . 54.7 t80 -55.79 -43.05 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.77 -43.45 88.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.76 HG22 ' HH2' ' A' ' 16' ' ' TRP . 5.3 m -60.69 -41.74 95.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.676 HG23 ' SG ' ' A' ' 57' ' ' CYS . 16.7 mm -64.27 -41.49 92.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.13 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.706 HG21 HG21 ' A' ' 19' ' ' ILE . 2.6 t -65.29 -31.05 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 ' CE3' ' A' ' 16' ' ' TRP . 4.3 tp -68.21 -31.26 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 88.4 t80 -76.53 -43.13 40.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.717 ' SG ' HG11 ' A' ' 94' ' ' VAL . 8.5 p -61.1 -40.62 94.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -71.98 -47.12 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 8' ' ' LEU . 24.3 m-70 -54.17 -30.95 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -90.24 -16.37 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.6 mtp180 82.73 51.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -110.24 132.06 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -56.98 142.56 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.717 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -146.03 171.27 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -46.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.1 p -59.85 -28.01 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.08 -45.04 78.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -43.49 79.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -57.64 -49.98 74.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.203 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.4 tp -62.95 -35.49 80.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.33 -33.69 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -70.14 -47.83 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 25.8 mm -56.97 -43.05 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 85' ' ' LEU . 27.2 t -128.59 -46.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.97 HD12 ' HB3' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -160.15 161.79 33.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -58.77 173.32 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -54.74 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.81 -46.34 18.95 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.97 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.5 mp0 -69.32 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.361 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -60.11 -45.1 94.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -49.94 52.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -27.12 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -79.0 -41.29 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 107.995 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 30.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 -7.0 11.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.1 mt -87.57 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -88.47 153.47 21.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' A' ' 27' ' ' LYS . 55.2 mt -83.12 -40.5 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.1 mtt85 -120.14 153.99 55.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.99 -35.72 2.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 3.54 27.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.86 -170.89 43.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 44.54 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -120.01 161.04 21.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 6.8 pt20 -160.08 -179.13 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.94 177.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.0 -25.87 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -45.05 93.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 21' ' ' LEU . 36.1 m80 -70.66 -35.65 72.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.534 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 17.8 mt -66.42 -37.07 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 31' ' ' LEU . 12.8 t -71.13 -39.78 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -63.86 -49.02 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 108.0 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -63.67 -40.22 96.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 t -56.99 -47.1 81.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.97 -43.09 99.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.22 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.724 ' HB3' HD22 ' A' ' 78' ' ' LEU . 1.1 tp10 -61.0 -42.51 98.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -64.21 -51.16 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.94 -34.54 63.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -26.17 39.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.734 ' CZ ' HD12 ' A' ' 75' ' ' LEU . 3.3 m-85 -85.75 14.07 6.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.53 39.76 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 ' CG1' HD23 ' A' ' 41' ' ' LEU . 3.6 t -124.98 150.03 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.7 m-80 -84.48 137.47 39.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.5 -22.81 69.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.064 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -63.84 -13.61 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 50' ' ' LEU . 75.9 mt -83.48 -0.79 51.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.77 -4.86 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 p -121.49 128.89 52.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 p -56.84 -28.27 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -48.96 55.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.17 -41.29 99.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.402 1.064 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 82' ' ' ILE . 3.7 t -63.94 -43.79 94.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -61.9 -38.63 89.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.44 -39.67 92.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.064 HD11 HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.25 -48.1 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.58 -43.89 76.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.33 -23.54 73.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -78.74 -22.56 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 7.9 mt -100.65 -31.63 11.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.46 -57.79 1.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -36.42 2.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -58.45 -16.11 13.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 79' ' ' TYR . 28.3 mt -63.16 -19.29 64.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -33.77 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.418 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 9.0 t -112.99 35.72 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.8 170.72 48.71 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -99.7 172.92 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.74 -42.02 98.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -44.94 76.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 9.9 tt -56.56 -43.64 80.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 3.6 mtm-85 -60.86 -50.92 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 t -55.72 -36.43 67.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 40' ' ' GLU . 1.4 tp -64.17 -47.25 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.24 -39.49 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.648 ' HA ' HD21 ' A' ' 101' ' ' LEU . 36.8 t-20 -62.62 -48.52 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.796 HG22 ' HH2' ' A' ' 16' ' ' TRP . 7.3 m -60.88 -41.77 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 57' ' ' CYS . 4.8 mm -65.1 -40.93 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.69 -49.19 75.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.017 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.5 t -61.66 -38.98 81.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 7' ' ' VAL . 14.6 tp -58.9 -45.48 90.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 24.9 t80 -61.97 -44.16 97.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -58.35 -37.72 75.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.239 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.2 t -69.88 -36.57 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.437 ' CE1' HG12 ' A' ' 7' ' ' VAL . 3.1 m-70 -72.98 -20.78 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.4 mm-40 -98.81 -1.85 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.12 54.1 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 90' ' ' GLN . 3.3 mt -107.47 132.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -49.23 135.08 17.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CA ' ' HE2' ' A' ' 95' ' ' LYS . 5.4 m -148.5 155.24 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' CG ' ' OE1' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -145.36 -53.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -119.97 153.95 35.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.497 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 75.0 m -59.99 -36.19 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.03 91.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.501 ' OE1' ' CG ' ' A' ' 95' ' ' LYS . 2.5 tt0 -62.66 -37.83 87.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -61.26 -49.43 77.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -62.07 -34.06 75.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.56 -37.21 76.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -48.92 63.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.474 HG13 ' HB1' ' A' ' 83' ' ' ALA . 3.4 mm -57.06 -42.56 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.995 HG11 HD11 ' A' ' 85' ' ' LEU . 47.2 t -122.16 -42.29 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -159.32 -176.23 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.46 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.94 -178.51 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.75 -53.66 26.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.66 79.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.674 ' CB ' HD12 ' A' ' 8' ' ' LEU . 9.4 mt-10 -60.63 -40.97 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.54 -33.06 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.62 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -37.86 61.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.769 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.97 -39.31 74.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.19 27.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 -4.09 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.5 mp -87.29 147.09 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 12.2 ptp180 -99.61 153.11 19.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.5 mt -82.73 -38.75 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -112.13 153.37 44.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.95 -36.46 2.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.75 85.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 109.19 166.53 20.45 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 160.88 -60.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -164.96 177.68 7.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.31 173.27 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.782 ' CE1' HD23 ' A' ' 21' ' ' LEU . 4.2 m-85 -76.42 167.09 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 pttm 179.15 -179.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.96 -21.65 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.45 81.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.727 ' CE1' HD21 ' A' ' 21' ' ' LEU . 7.7 m170 -71.28 -35.78 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 15.2 mt -68.03 -34.31 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.611 HG23 HD12 ' A' ' 31' ' ' LEU . 4.5 t -71.56 -42.44 72.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 11.5 t90 -63.86 -49.15 73.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.42 -46.5 89.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.4 t -57.0 -40.94 77.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -62.67 -43.23 99.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE1' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.717 HD11 HG21 ' A' ' 60' ' ' ILE . 4.2 mm? -60.62 -51.13 70.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.39 -33.07 73.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -77.52 -21.26 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.79 -8.97 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.95 31.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -119.28 150.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.702 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.2 t30 -75.65 125.05 88.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -35.71 2.99 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.516 1.798 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.06 -36.07 79.76 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -67.12 -11.84 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.564 0.802 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.661 HD13 ' CD1' ' A' ' 60' ' ' ILE . 6.6 tp -74.0 -4.63 36.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.95 -4.88 46.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 p -115.88 137.28 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -56.82 -30.86 64.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -46.76 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -59.92 -44.03 97.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.773 ' SG ' HD23 ' A' ' 85' ' ' LEU . 14.9 t -63.89 -41.06 97.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.98 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.73 -49.18 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.717 HG21 HD11 ' A' ' 41' ' ' LEU . 8.7 mt -61.37 -45.3 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -55.78 -43.83 77.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.84 -23.77 75.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -70.65 -38.64 73.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD21 HD13 ' A' ' 82' ' ' ILE . 4.5 pp -98.22 -10.34 24.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.581 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.4 mt-30 -37.73 -52.96 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -29.5 8.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 t -57.83 -16.51 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.147 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.3 mt -71.99 -39.66 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.3 tt0 -35.74 -67.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -115.34 37.69 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.67 -174.09 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -104.59 167.77 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.86 -43.15 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -67.68 -44.28 78.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.35 -43.1 83.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -51.95 67.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -33.07 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.81 HD22 ' OE1' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -67.71 -46.99 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.147 ' CD1' HD11 ' A' ' 68' ' ' LEU . 9.5 t80 -56.78 -41.79 78.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -64.47 -45.75 86.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.483 HG23 ' CE2' ' A' ' 29' ' ' TYR . 18.3 m -60.65 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.694 HD13 HD21 ' A' ' 64' ' ' LEU . 10.0 mt -62.17 -38.41 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.207 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.135 ' HB1' HD11 ' A' ' 104' ' ' ILE . . . -60.46 -47.64 85.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 100' ' ' ALA . 25.0 t -59.85 -39.84 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.995 HD11 HG11 ' A' ' 7' ' ' VAL . 8.9 tp -58.82 -44.88 90.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 58' ' ' ARG . 35.4 t80 -63.15 -40.04 96.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 6.0 t -58.59 -44.29 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.371 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.3 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.598 ' CE1' HG12 ' A' ' 7' ' ' VAL . 2.0 m-70 -70.17 -23.77 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.564 ' CB ' HD12 ' A' ' 92' ' ' ILE . 68.9 mm-40 -93.56 -16.04 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 71.95 51.89 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -110.08 132.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.08 132.22 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 100' ' ' ALA . 2.9 m -149.56 171.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.35 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -117.28 162.32 18.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -39.77 85.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . 21.6 tp10 -66.34 -36.04 81.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB3' HG22 ' A' ' 84' ' ' VAL . . . -71.34 -50.07 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 6.7 tp -59.36 -42.15 90.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -71.25 -31.78 67.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -49.13 70.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.135 HD11 ' HB1' ' A' ' 83' ' ' ALA . 20.1 pt -71.68 -36.56 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.035 HG12 HD22 ' A' ' 8' ' ' LEU . 52.5 t -142.75 -56.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HG12 ' A' ' 7' ' ' VAL . 3.0 mm? -107.68 134.29 50.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.13 -166.97 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.73 -61.84 6.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.07 -39.09 46.37 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.97 -35.19 76.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 0.831 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 HD23 ' A' ' 31' ' ' LEU . 1.5 tp -75.79 -45.31 36.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.02 -32.88 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -83.91 -42.19 16.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -56.77 -25.88 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.034 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.4 tm-20 -89.83 32.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.71 -7.3 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.35 121.83 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -89.25 145.5 25.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD11 ' HE1' ' A' ' 33' ' ' HIS . 9.9 mt -78.9 -37.27 40.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.86 152.07 38.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -39.35 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -14.66 75.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.23 168.48 13.76 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 27.9 tptt 160.9 -60.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -171.14 174.11 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.9 mt-30 -127.21 171.59 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.216 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 5.1 m-30 -59.24 156.29 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 178.99 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -58.67 -18.99 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.29 69.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.51 ' HE1' HD11 ' A' ' 21' ' ' LEU . 23.2 m80 -71.19 -37.81 72.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.529 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.638 HD13 HD23 ' A' ' 8' ' ' LEU . 65.8 mt -65.75 -44.16 93.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.774 HG23 HD13 ' A' ' 31' ' ' LEU . 4.3 t -65.28 -37.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 29.9 t90 -63.7 -49.05 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.38 -38.25 88.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -57.07 -48.07 79.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -42.94 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CA ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.18 -46.29 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.808 HD21 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -57.97 -51.08 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.237 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.51 -32.9 67.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -20.99 44.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -84.74 12.51 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.04 34.19 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.782 HG22 HD12 ' A' ' 50' ' ' LEU . 6.9 p -125.02 150.8 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.17 138.09 72.16 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -33.13 4.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.3 -16.08 8.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.899 ' HB2' HD11 ' A' ' 60' ' ' ILE . 69.5 mt -62.41 -35.98 80.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 41' ' ' LEU . 6.5 mt -74.46 -3.46 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.79 -4.83 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 p -144.25 142.5 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -56.82 -30.75 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.74 -49.15 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.2 96.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.578 1.174 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 10.9 p -63.85 -39.68 94.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 2.8 tmt_? -59.95 -42.42 94.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.68 -45.55 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 50' ' ' LEU . 25.0 mt -58.94 -47.97 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.81 -43.96 77.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.88 77.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -40.73 67.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.34 -15.59 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -39.06 -52.56 3.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -36.38 2.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -57.74 -16.72 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.194 HD11 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -68.31 -40.36 81.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' LEU . 27.6 tp60 -36.11 -68.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -114.54 40.6 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.33 172.93 51.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -94.0 168.18 11.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.44 -43.25 88.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.78 -44.26 81.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.45 -39.84 88.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -61.95 -49.4 76.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.9 t -56.09 -37.81 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -64.14 -47.21 80.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.194 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.6 t80 -55.88 -43.05 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.483 ' HA ' HD13 ' A' ' 101' ' ' LEU . 9.0 t-20 -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.705 HG22 ' HH2' ' A' ' 16' ' ' TRP . 3.4 m -60.63 -42.18 96.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.72 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.2 mm -61.59 -42.96 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.863 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.658 HG22 ' CB ' ' A' ' 100' ' ' ALA . 3.5 t -63.47 -34.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 8' ' ' LEU . 37.5 tp -62.72 -36.47 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -74.22 -38.84 63.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.8 m -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.12 -47.09 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 2.7 m-70 -54.93 -25.04 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -98.14 -16.26 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 30.8 ttt180 80.17 52.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.03 132.05 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.51 127.66 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.73 171.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 99' ' ' GLU . 0.4 OUTLIER -146.04 -46.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.94 168.11 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 t -67.3 -35.22 79.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.98 77.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 10.7 tp10 -62.18 -48.05 81.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.6 tp -57.29 -41.12 79.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.23 -32.5 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -49.07 74.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.863 HD12 ' HB1' ' A' ' 83' ' ' ALA . 26.8 mt -69.51 -35.55 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 52' ' ' GLU . 3.4 t -74.43 -64.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 34' ' ' ILE . 35.0 mt -102.25 128.48 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 14.2 m -78.42 -170.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -55.0 32.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.94 -45.71 49.52 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.05 70.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD21 HD23 ' A' ' 31' ' ' LEU . 5.1 tp -75.21 -45.36 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.69 89.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -75.6 -37.2 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.744 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.99 -35.04 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -86.58 36.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -117.22 -9.5 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.4 mp -87.3 122.24 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -89.2 140.42 29.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' HE1' ' A' ' 33' ' ' HIS . 14.4 mt -72.98 -34.04 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.72 152.04 40.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -42.61 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.56 76.4 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 123.33 168.17 12.99 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.7 tttt 160.31 -59.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.66 175.02 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.8 pm0 -133.46 170.43 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE2' HG11 ' A' ' 84' ' ' VAL . 4.3 m-30 -55.96 144.96 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.15 179.18 7.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -57.51 -19.75 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -45.82 72.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.76 ' HE1' HD11 ' A' ' 21' ' ' LEU . 6.5 m170 -71.28 -35.79 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.555 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.747 ' CD1' HD12 ' A' ' 8' ' ' LEU . 21.6 mt -67.2 -41.6 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 HD13 ' A' ' 31' ' ' LEU . 3.3 t -65.49 -41.11 90.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 1.088 ' CH2' HD12 ' A' ' 78' ' ' LEU . 45.4 t90 -63.71 -49.17 74.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.36 -40.79 87.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -39.06 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -62.91 -42.98 99.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.28 -33.25 72.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -62.93 -51.27 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -33.0 74.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -29.74 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 1.3 m-30 -86.27 10.5 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.34 47.33 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.94 150.06 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.675 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.16 127.35 81.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.02 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -63.08 -37.8 95.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.65 -11.85 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.41 -4.85 59.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 6.8 pt-20 -76.28 -4.84 44.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 p -104.27 139.33 39.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.3 -31.21 63.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -71.07 -47.67 57.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -38.91 96.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.3 t -66.33 -45.14 81.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 3.3 tmt_? -64.34 -35.91 82.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -49.0 76.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.487 HD13 HD11 ' A' ' 41' ' ' LEU . 6.0 mt -58.99 -48.05 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 83' ' ' ALA . 8.0 tp -55.89 -40.68 73.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.34 -23.92 76.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -40.98 67.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.9 -16.8 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.2 mt-30 -38.59 -52.73 3.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.06 -33.84 4.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 t -61.15 -14.39 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.095 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.6 mt -73.14 -35.2 66.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 57.1 mm-40 -37.19 -42.11 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -143.66 39.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.25 173.34 53.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.75 167.52 12.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.21 -43.14 87.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.42 -43.61 80.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' HA3' ' A' ' 71' ' ' GLY . 6.7 tt -60.6 -39.59 88.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.48 89.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -41.26 83.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.088 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.6 -44.68 89.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.095 ' CD1' HD11 ' A' ' 68' ' ' LEU . 3.4 t80 -55.74 -43.18 76.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.798 ' ND2' HD22 ' A' ' 101' ' ' LEU . 8.3 t-20 -64.85 -43.88 91.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -60.81 -42.4 97.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.456 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mm -61.49 -43.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.491 ' N ' HD13 ' A' ' 61' ' ' LEU . . . -56.54 -48.28 77.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.5 t -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 51' ' ' LEU . 13.0 tp -63.41 -37.73 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 104' ' ' ILE . 59.4 t80 -72.49 -34.56 67.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' ILE . 71.3 m -63.46 -45.1 92.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -71.15 -47.08 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.488 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 4.0 m-70 -48.28 -43.61 32.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -86.86 -16.57 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER 76.69 63.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.2 mm -110.07 132.0 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.77 120.35 2.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.8 m -137.4 171.29 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.63 -46.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.01 155.54 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 t -60.64 -35.36 76.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.32 -42.19 79.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.527 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.798 HD22 ' ND2' ' A' ' 80' ' ' ASN . 7.7 tp -68.53 -38.5 80.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -71.07 -37.25 72.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -63.51 -49.05 75.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.8 -34.84 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 8' ' ' LEU . 3.2 t -140.77 -79.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 85' ' ' LEU . 5.4 mp -102.24 142.95 32.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -73.36 -178.27 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.39 -58.1 16.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.64 97.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 13.4 mt -75.01 -41.77 58.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.57 -37.16 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.77 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -57.01 -30.29 64.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 107.964 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.66 29.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -5.3 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.03 138.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 3.9 mtt85 -85.61 151.09 24.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD12 ' HB3' ' A' ' 27' ' ' LYS . 54.4 mt -82.25 -39.83 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -130.78 152.31 80.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.12 2.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.55 -0.42 55.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.61 -171.62 36.13 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.03 47.02 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -123.52 161.38 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.51 177.18 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.5 m-30 -76.0 175.4 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.63 174.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -54.95 -26.13 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.03 93.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.644 ' CE1' HD11 ' A' ' 21' ' ' LEU . 41.6 m80 -70.85 -35.94 72.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 27.5 mt -66.25 -35.93 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.7 t -69.76 -46.65 73.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 78' ' ' LEU . 10.2 t90 -63.92 -34.86 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -66.18 -53.28 39.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 p -57.03 -39.05 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -43.08 99.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 3.3 tp10 -63.23 -44.33 95.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 82' ' ' ILE . 1.3 mp -61.94 -51.0 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -55.01 -38.02 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -25.39 55.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.634 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.5 m-85 -85.3 -4.24 59.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.34 43.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG11 HD23 ' A' ' 41' ' ' LEU . 5.9 t -124.97 143.52 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' HB2' HD23 ' A' ' 50' ' ' LEU . 2.2 m120 -76.31 130.09 78.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.41 2.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.06 -20.57 71.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.032 HD11 HD11 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -70.57 -13.23 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 109.347 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' NE2' ' A' ' 89' ' ' HIS . 36.0 mt -83.79 -2.59 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.92 -4.92 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 p -124.89 135.53 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 p -56.9 -30.79 64.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.39 -48.99 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.27 -43.49 93.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 6.5 m -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 86' ' ' TYR . 16.9 tpt85 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.032 HD11 HD11 ' A' ' 50' ' ' LEU . 19.5 mt -59.51 -49.06 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.93 -49.6 73.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.88 -29.4 74.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -24.14 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 68' ' ' LEU . 17.6 mt -88.0 -31.97 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -36.21 -53.88 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.01 -30.7 6.86 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' LEU . 67.1 m -56.27 -47.51 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -58.98 -29.27 67.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 58.9 tp60 -37.41 -40.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -146.32 31.15 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.92 52.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 p -96.38 169.58 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.29 -39.66 87.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.51 -47.04 68.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.6 tt -59.83 -39.45 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -47.64 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -47.0 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.94 -46.81 84.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD21 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.47 -42.61 82.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.473 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 88.1 m-20 -59.3 -45.62 90.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.77 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.5 m -60.72 -42.51 97.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 41' ' ' LEU . 5.0 mm -61.42 -43.34 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.596 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.89 -48.71 77.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.8 t -59.92 -37.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD13 ' CD2' ' A' ' 89' ' ' HIS . 1.2 tm? -59.01 -46.74 87.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.686 ' CD2' HD11 ' A' ' 104' ' ' ILE . 22.5 t80 -61.85 -44.29 97.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 92' ' ' ILE . 1.1 m -56.92 -39.04 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' VAL . 19.2 t -65.73 -42.97 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CD2' HD13 ' A' ' 85' ' ' LEU . 37.2 m-70 -58.95 -35.96 74.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.01 -10.64 52.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.16 62.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.42 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.2 mt -109.97 130.83 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.85 130.77 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -142.23 159.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -39.55 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.79 157.46 46.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.0 t -59.95 -28.04 67.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -70.0 -38.97 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.07 -45.82 72.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -62.4 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.2 tp -68.98 -31.02 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -40.66 71.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -49.0 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.686 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.67 -34.97 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.897 H132 ' HB3' ' A' ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.62 -61.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -119.42 51.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . 48.85 -176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.59 -31.34 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.785 HG23 ' H71' ' A' ' 1' ' ' MYR . 54.6 t -70.74 -59.28 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' A' ' 89' ' ' HIS . 80.1 mt -138.49 147.3 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.433 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -75.18 -177.14 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.22 -55.13 31.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.87 -44.69 97.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' OE2' ' CB ' ' A' ' 9' ' ' SER . 1.2 mp0 -60.78 -32.34 71.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 31' ' ' LEU . 5.8 mt -75.03 -36.93 61.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -40.5 97.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.62 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.741 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -56.96 -32.97 66.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 107.949 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.06 32.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -6.71 11.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.3 138.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 6.2 mtm180 -89.57 151.66 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.866 HD11 ' CE1' ' A' ' 33' ' ' HIS . 14.7 mt -83.84 -37.98 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -128.37 152.21 77.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.78 41.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.04 -171.14 41.63 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -134.71 45.64 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 24.6 mttt -112.45 156.23 22.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 2.5 pt20 -150.1 162.3 40.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -72.88 160.63 31.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.22 173.56 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' CD2' HD22 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -54.99 -27.12 41.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -45.25 93.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.866 ' CE1' HD11 ' A' ' 21' ' ' LEU . 10.8 m170 -69.64 -35.85 75.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.621 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.766 HG23 H112 ' A' ' 1' ' ' MYR . 37.8 mt -65.64 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.51 -38.81 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CH2' HD12 ' A' ' 78' ' ' LEU . 39.4 t90 -63.83 -49.16 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.897 ' HB3' H132 ' A' ' 1' ' ' MYR . . . -61.1 -43.66 98.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.429 ' CB ' H101 ' A' ' 1' ' ' MYR . 1.5 t -59.29 -41.13 88.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -62.85 -43.09 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -68.09 -37.72 81.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -64.48 -51.05 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -34.99 75.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -24.87 56.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.691 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -85.01 -6.07 59.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.39 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -123.21 140.98 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.862 ' HB2' HD23 ' A' ' 50' ' ' LEU . 3.3 t30 -76.0 132.72 73.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -61.33 -40.77 99.09 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.947 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.03 -11.95 61.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 41' ' ' LEU . 1.3 tp -86.95 -0.68 56.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.2 pt-20 -76.51 -36.54 57.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -71.39 140.73 50.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -26.33 58.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.21 -48.95 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -37.17 93.82 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -67.49 -45.02 77.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 86' ' ' TYR . 4.1 ttt-85 -64.84 -36.01 82.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -63.77 -48.52 76.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.624 HD13 HD21 ' A' ' 41' ' ' LEU . 12.6 mt -58.93 -47.85 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 11.8 tp -55.99 -41.88 75.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.34 -24.0 77.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -32.85 59.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLN . 9.9 mt -93.43 -17.81 23.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.75 -53.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m -57.26 -17.57 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.191 HD11 ' CD2' ' A' ' 79' ' ' TYR . 5.0 mt -73.02 -39.26 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.7 tt0 -38.28 -43.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -140.75 37.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 75' ' ' LEU . . . -82.03 174.89 53.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 p -90.06 166.0 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.774 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.55 -42.42 82.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -67.98 -44.45 76.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD23 ' HA3' ' A' ' 71' ' ' GLY . 1.4 tp -58.29 -42.21 86.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -62.98 -48.5 78.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.8 m -57.8 -37.58 74.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.01 -47.09 81.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.191 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.8 t80 -56.94 -42.98 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.767 ' HA ' HD21 ' A' ' 101' ' ' LEU . 77.3 m-20 -62.91 -43.24 99.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.689 HG22 ' HH2' ' A' ' 16' ' ' TRP . 17.6 m -60.98 -41.64 96.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 57' ' ' CYS . 24.2 mt -63.85 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.044 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -59.01 -46.42 88.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.875 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.1 t -60.0 -42.99 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.686 HD22 H143 ' A' ' 1' ' ' MYR . 23.7 tp -58.88 -44.51 91.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.491 ' CZ ' ' OE1' ' A' ' 90' ' ' GLN . 7.0 t80 -61.97 -37.94 86.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.2 -44.68 96.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.284 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.1 t -65.22 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 8' ' ' LEU . 6.0 m-70 -66.74 -37.51 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.491 ' OE1' ' CZ ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -89.24 -5.35 57.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 73.77 54.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' HD2' ' A' ' 103' ' ' LYS . 30.3 mm -110.02 132.05 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.28 146.09 43.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.591 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -147.25 170.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -47.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.34 161.01 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 t -60.01 -31.79 70.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -44.98 68.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.15 -47.96 81.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.591 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -63.65 -38.79 92.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -40.66 97.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -70.95 -35.21 72.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.45 ' HD2' HG21 ' A' ' 92' ' ' ILE . 8.0 tmtm? -63.15 -49.01 76.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.044 HD12 ' HB1' ' A' ' 83' ' ' ALA . 16.4 mt -70.3 -37.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.33 -39.93 94.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -50.21 50.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.95 -52.03 65.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -51.25 67.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -53.12 -48.25 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.05 -42.89 91.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -54.94 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 3.9 mmtt -49.37 -49.27 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' GLN . 44.6 tttt -55.26 -57.4 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -44.11 -40.22 4.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -65.51 -43.34 90.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -64.29 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 114' ' ' LYS . 1.9 pp0? -47.98 -39.5 19.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -48.01 -61.37 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -43.95 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.4 -55.81 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 122' ' ' THR . 6.6 m -113.15 68.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 172.34 -155.6 23.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.24 167.4 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -158.73 167.25 29.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.9 p -164.77 170.21 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -172.37 170.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.9 p -170.81 150.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -174.46 135.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.39 167.2 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.51 133.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.776 H121 ' HB3' ' A' ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.16 -59.72 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.745 . . . . 0.0 109.323 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' ALA . 5.7 ttm180 -130.99 69.04 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.87 -175.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.6 56.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG12 ' HG ' ' A' ' 8' ' ' LEU . 73.5 t -126.2 -81.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.987 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -121.86 172.42 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -179.68 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.82 -56.02 27.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.91 92.52 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 6.5 mt-10 -61.03 -31.68 71.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.35 -45.05 66.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -56.66 -50.55 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.94 -31.25 64.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 2.8 tt0 -91.07 27.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -119.63 -3.55 10.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.514 HD13 ' CG1' ' A' ' 84' ' ' VAL . 3.3 mt -87.07 130.12 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 91.1 mtt180 -93.69 145.71 24.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 ' CE1' ' A' ' 29' ' ' TYR . 8.5 mt -77.7 -48.83 15.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.11 153.19 38.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.39 0.1 81.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 97.27 167.17 32.75 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.09 -60.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.21 173.42 12.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 176.15 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.78 ' CE1' HD23 ' A' ' 21' ' ' LEU . 6.5 m-85 -72.62 156.09 39.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -160.93 -176.8 5.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.38 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.74 -24.03 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.06 86.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' HE1' HD11 ' A' ' 21' ' ' LEU . 12.1 m170 -71.0 -36.67 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.6 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 54.3 mt -64.44 -42.61 95.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 31' ' ' LEU . 5.1 t -69.52 -35.39 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CH2' HD22 ' A' ' 78' ' ' LEU . 26.0 t90 -63.99 -48.37 76.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 107.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.776 ' HB3' H121 ' A' ' 1' ' ' MYR . . . -64.96 -41.77 95.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.501 ' OG ' ' C9 ' ' A' ' 1' ' ' MYR . 29.6 m -57.01 -46.58 82.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -39.54 87.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 37' ' ' ALA . 4.4 mm? -63.11 -51.09 67.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.68 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CB ' HG12 ' A' ' 46' ' ' VAL . 2.1 m-85 -84.85 7.28 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 62.5 35.53 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -122.3 150.16 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.964 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.9 125.68 87.91 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.21 2.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.07 -35.91 86.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -70.1 -12.23 61.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.554 HD13 ' C10' ' A' ' 1' ' ' MYR . 0.2 OUTLIER -77.95 -11.26 59.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 6.3 pt-20 -76.97 -4.99 46.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -113.69 140.2 48.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -57.03 -31.58 65.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -49.07 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.863 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -62.93 -39.09 97.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 85' ' ' LEU . 5.1 t -64.01 -41.06 97.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.93 -35.95 81.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.18 -52.0 65.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -60.4 -42.18 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD22 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -55.97 -50.08 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 -23.91 75.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -33.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -91.47 -19.68 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.806 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.5 mt-30 -38.78 -55.81 2.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.95 -40.12 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -56.95 -17.58 10.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.4 mt -72.86 -39.91 66.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 23.7 tt0 -37.77 -53.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -129.3 36.77 4.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.21 173.26 53.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -89.75 168.79 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.41 -42.79 92.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.201 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.16 -44.68 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' HA3' ' A' ' 71' ' ' GLY . 7.9 tt -59.19 -42.08 90.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -61.53 -51.53 68.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -55.88 -35.41 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -65.25 -46.95 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.141 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.1 t80 -57.67 -42.47 83.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.614 ' OD1' HD21 ' A' ' 101' ' ' LEU . 82.7 m-20 -62.04 -47.02 86.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' HE2' ' A' ' 29' ' ' TYR . 40.2 m -60.95 -42.99 99.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.558 HD11 HD21 ' A' ' 41' ' ' LEU . 14.4 mm -61.2 -40.76 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.59 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -59.83 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.947 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.9 t -60.83 -39.81 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 85' ' ' LEU . 1.2 tm? -59.03 -44.98 91.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 104' ' ' ILE . 32.1 t80 -61.98 -43.57 98.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.547 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -57.49 -41.83 81.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 84' ' ' VAL . 10.5 t -67.2 -34.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 2.4 m-70 -61.05 -43.19 99.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.553 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -87.05 2.67 48.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 64.19 61.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 87' ' ' CYS . 7.1 mt -110.03 121.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.82 128.47 26.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -127.81 171.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -146.27 -47.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -140.96 170.7 15.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 21' ' ' LEU . 8.9 t -68.78 -37.35 79.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.473 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -38.66 75.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -38.19 85.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.85 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.45 -38.91 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.614 HD21 ' OD1' ' A' ' 80' ' ' ASN . 1.8 tp -68.95 -39.61 79.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -37.98 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -48.92 77.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -69.37 -34.93 64.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -39.4 93.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.77 -53.41 21.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.08 71.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -55.18 -50.55 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -53.21 -48.59 68.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.399 1.062 . . . . 0.0 109.268 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -59.1 -42.97 91.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -57.45 -56.51 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.81 -51.69 48.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -51.64 -52.74 45.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -51.52 -51.48 54.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.06 -49.33 42.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.95 -51.31 70.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -42.83 18.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.322 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.6 -49.78 44.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.93 -47.56 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 122' ' ' THR . . . -79.32 -39.67 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -41.43 -49.24 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 120' ' ' ALA . 44.7 p 46.11 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -100.18 151.02 19.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.46 165.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.59 158.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.9 p 177.75 142.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -165.49 113.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.25 156.82 24.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.1 t -177.07 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.51 149.57 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 174.68 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.806 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.38 71.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.6 154.91 36.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.55 -176.56 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.65 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG12 HD11 ' A' ' 85' ' ' LEU . 44.0 t -66.34 -54.34 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.424 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.956 HD11 HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -130.68 149.86 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.22 -174.9 5.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.85 -55.68 27.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -45.12 96.73 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.67 -30.85 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.775 ' HG ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -73.7 -41.55 62.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -46.16 86.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -43.24 65.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CZ2' ' CG1' ' A' ' 34' ' ' ILE . 1.1 t-105 -56.96 -27.47 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.88 22.72 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -2.47 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CG1' ' A' ' 84' ' ' VAL . 4.2 mt -87.47 126.58 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 23' ' ' PRO . 12.3 ptp180 -93.64 136.54 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CE1' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -67.64 -40.76 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -114.03 151.54 44.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.2 Cg_endo -75.0 -36.22 2.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 -12.9 51.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.45 1.094 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.51 -172.33 47.7 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.23 50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.6 100.43 10.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -87.7 135.41 33.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.736 ' HE2' HG23 ' A' ' 81' ' ' THR . 9.6 m-85 -57.52 160.77 3.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.056 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 -177.08 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -59.3 -18.8 40.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -68.88 -45.56 70.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.782 ' CE1' HD11 ' A' ' 21' ' ' LEU . 15.5 m170 -71.15 -38.3 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 HD11 ' A' ' 8' ' ' LEU . 31.6 mt -66.97 -39.04 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -65.95 -42.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.535 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 43.7 t90 -63.74 -49.13 74.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.69 ' HB3' H131 ' A' ' 1' ' ' MYR . . . -58.96 -40.53 85.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.479 ' HB2' ' C11' ' A' ' 1' ' ' MYR . 5.4 t -63.15 -39.46 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.922 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -43.11 99.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.49 -47.12 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.99 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -57.87 -47.19 83.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.87 -32.89 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -76.72 -19.94 57.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.693 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 1.2 m-85 -84.59 -8.42 58.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.54 38.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.99 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.13 147.77 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.686 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -75.95 129.91 79.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -60.88 -41.96 99.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.64 -11.91 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.956 HD22 HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -85.25 -0.82 55.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 89' ' ' HIS . 9.7 pt-20 -76.63 -20.41 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.08 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -89.12 145.58 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 p -56.73 -31.4 64.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -49.09 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.805 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -44.84 92.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -63.97 -41.5 97.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -37.38 82.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.49 65.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 56' ' ' GLY . 3.5 mt -58.9 -46.28 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 79' ' ' TYR . 1.2 mt -55.9 -43.01 76.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.16 -23.94 77.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.5 -41.07 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.05 -16.57 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.2 mt-30 -38.72 -55.36 2.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 -39.7 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 m -56.95 -17.55 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.146 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.3 mt -73.08 -39.95 65.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -36.9 -40.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -145.89 39.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -81.08 172.65 54.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.7 p -87.04 171.15 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.03 -44.41 97.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 14.1 pt-20 -67.62 -41.59 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.755 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.2 tt -62.26 -41.97 98.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -61.33 -48.84 79.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -40.69 79.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.19 -47.25 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.146 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.0 t80 -57.5 -43.15 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.956 ' OD1' HD11 ' A' ' 101' ' ' LEU . 78.3 m-20 -60.23 -43.06 96.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.736 HG23 ' HE2' ' A' ' 29' ' ' TYR . 86.6 m -60.81 -42.14 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.852 HD11 HD11 ' A' ' 41' ' ' LEU . 31.9 mm -60.0 -45.41 95.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.06 -47.66 80.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.874 ' O ' HG23 ' A' ' 88' ' ' VAL . 41.9 t -59.89 -43.13 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.913 HD23 HD11 ' A' ' 51' ' ' LEU . 45.7 tp -59.57 -44.51 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CD1' HD11 ' A' ' 104' ' ' ILE . 6.6 t80 -61.91 -36.39 81.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.1 m -64.29 -43.81 93.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.2 t -66.13 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 52' ' ' GLU . 17.7 m-70 -62.41 -50.2 72.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' HB2' HD12 ' A' ' 92' ' ' ILE . 28.9 mm-40 -87.06 5.89 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.63 51.85 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -89.66 129.65 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.45 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 92' ' ' ILE . 1.6 m -122.38 171.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -174.06 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.39 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -134.46 159.99 39.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.2 m -69.74 -28.05 65.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 110.429 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -44.98 68.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.499 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 16.8 mm-40 -66.62 -47.78 71.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.65 74.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.956 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -66.65 -31.19 71.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -66.9 -41.41 87.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.248 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -65.93 -49.04 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.489 HG13 ' HB1' ' A' ' 83' ' ' ALA . 49.7 mm -61.83 -35.85 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.402 ' HA ' ' CG ' ' A' ' 108' ' ' GLN . 3.1 tt0 -72.86 -30.1 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -46.15 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -50.39 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.402 ' CG ' ' HA ' ' A' ' 105' ' ' GLU . 0.5 OUTLIER -56.21 -37.66 69.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -70.07 -45.0 67.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -40.31 84.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -56.19 19.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -51.74 -52.94 44.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -50.83 -51.82 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -51.57 -52.82 44.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.63 -52.89 44.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -50.32 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.62 -51.85 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.52 -57.07 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ALA . . . -40.54 -51.25 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.74 -58.15 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -40.5 -59.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.7 p -62.43 -55.95 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.24 162.96 38.96 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -163.41 166.97 22.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -168.5 167.43 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.47 170.17 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.072 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -143.18 133.67 24.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.7 p -163.6 155.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m -165.78 -58.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? 43.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.117 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.21 167.69 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 50.6 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.541 H132 HD21 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.25 73.29 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 0.721 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 169.82 101.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.88 152.73 18.74 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -111.9 -21.78 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.682 HG12 HD13 ' A' ' 8' ' ' LEU . 1.9 t -74.21 -62.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 13' ' ' LEU . 6.4 mp -112.24 152.57 28.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 -176.81 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.04 25.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.55 -43.49 98.94 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG2' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -60.67 -31.93 71.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.311 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -75.5 -38.23 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.21 -35.32 79.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -83.05 -38.78 22.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -62.75 -30.4 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.62 23.95 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 0.08 9.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 94' ' ' VAL . 2.2 mp -87.34 133.42 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 80.6 mtt-85 -85.62 148.57 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD12 ' HB3' ' A' ' 27' ' ' LYS . 95.0 mt -76.06 -44.37 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.95 153.0 80.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.178 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.98 2.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.45 12.17 64.92 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.43 -170.89 17.62 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -138.15 47.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.828 ' HB3' HD12 ' A' ' 21' ' ' LEU . 1.3 tttt -123.73 159.55 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 74.3 mt-30 -144.62 175.87 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.708 ' CE1' HD23 ' A' ' 21' ' ' LEU . 13.0 m-85 -86.61 163.01 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.44 -177.62 4.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -25.57 53.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.17 93.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.63 ' HE1' HD11 ' A' ' 21' ' ' LEU . 8.2 m170 -71.26 -35.55 71.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.62 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.6 mm -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.96 -34.99 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.437 ' HH2' ' HG ' ' A' ' 77' ' ' SER . 38.6 t90 -63.91 -49.03 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.781 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -67.12 -40.29 86.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' C10' ' A' ' 1' ' ' MYR . 51.8 p -56.91 -48.14 78.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -43.09 98.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.8 -38.05 86.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -64.96 -51.12 63.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -58.57 -32.9 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.09 -26.27 42.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.676 ' CE2' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -84.99 -0.54 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.99 42.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 41' ' ' LEU . 2.1 t -124.99 139.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.568 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.7 t-20 -75.95 131.97 75.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.11 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.87 99.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.04 -11.91 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.805 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HD22 ' A' ' 41' ' ' LEU . 11.5 tp -77.13 -10.34 59.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 6' ' ' SER . 7.3 pt-20 -76.88 -4.96 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -108.52 130.09 55.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -56.73 -27.58 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -49.07 48.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 50' ' ' LEU . . . -62.5 -39.25 97.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.7 t -68.03 -39.06 83.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -68.13 -35.98 78.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -52.09 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 HD11 HD11 ' A' ' 50' ' ' LEU . 22.7 mt -61.24 -49.64 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.653 ' HB2' HG22 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -55.72 -49.38 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.49 -23.94 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.47 -36.4 63.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 68' ' ' LEU . 1.3 mt -88.83 -16.16 32.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -41.56 -54.16 6.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -24.91 12.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -60.98 -19.61 61.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.072 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 79' ' ' TYR . 1.4 mp -73.01 -32.82 65.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 11.2 tt0 -37.7 -40.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -144.46 39.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 175.21 39.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -88.36 166.75 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.82 -42.99 85.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -44.1 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.1 tt -59.88 -40.38 88.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' A' ' 68' ' ' LEU . 13.6 mtm180 -63.43 -48.78 76.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.437 ' HG ' ' HH2' ' A' ' 36' ' ' TRP . 39.7 t -57.48 -40.01 77.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -61.83 -47.08 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.063 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 t80 -57.02 -43.02 81.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.25 -44.32 97.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 m -61.02 -44.37 97.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.653 HG22 ' HB2' ' A' ' 61' ' ' LEU . 73.8 mt -59.87 -43.91 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.999 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -59.92 -34.89 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 8' ' ' LEU . 1.9 tm? -64.29 -44.02 92.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.6 ' CD2' HD11 ' A' ' 104' ' ' ILE . 19.8 t80 -61.9 -42.26 98.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.5 m -63.35 -39.52 94.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 84' ' ' VAL . 62.1 t -62.95 -38.52 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.645 ' CE1' HD12 ' A' ' 8' ' ' LEU . 3.0 m-70 -74.81 -24.73 58.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CD ' ' CZ ' ' A' ' 86' ' ' TYR . 6.2 mt-30 -88.67 -8.16 55.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 76.76 65.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 1.007 HG22 HG13 ' A' ' 94' ' ' VAL . 16.2 mm -110.07 132.18 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -92.34 84.67 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.007 HG13 HG22 ' A' ' 92' ' ' ILE . 4.0 m -112.25 156.91 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.42 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.33 -0.88 8.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.7 OUTLIER -159.21 140.21 12.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 21' ' ' LEU . 4.3 t -59.96 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -44.08 93.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.489 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 12.3 mt-10 -68.11 -43.71 77.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.19 -47.91 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.05 -30.86 69.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.98 -40.31 87.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -70.01 -49.03 55.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.6 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.49 -34.94 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.76 -39.9 72.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -54.89 41.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -46.01 90.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -54.98 -49.54 71.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -47.16 78.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.93 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 m -57.24 -56.27 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.15 47.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -51.2 -52.15 47.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -52.05 -53.24 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -51.11 -47.87 61.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -52.44 58.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 27.2 tt0 -59.38 -39.03 82.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 115' ' ' ALA . . . -55.11 -53.61 53.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.89 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -49.38 -58.57 4.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.94 -19.71 60.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.733 HG23 ' N ' ' A' ' 123' ' ' GLY . 1.1 t 40.91 -162.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.733 ' N ' HG23 ' A' ' 122' ' ' THR . . . 131.67 58.98 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 174.58 159.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 0.807 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -176.95 162.16 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.8 -58.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 50.58 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -139.68 173.4 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.01 143.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.38 74.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.1 m120 55.77 167.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.242 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 40.3 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.876 H132 HD22 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.66 173.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.99 111.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.73 -176.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.84 50.59 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.796 HG21 H101 ' A' ' 1' ' ' MYR . 22.7 t -126.41 -68.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -133.54 179.54 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -179.61 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.98 -56.1 26.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -44.85 93.35 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 34.3 mm-40 -61.0 -33.77 73.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -44.94 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.98 -35.86 73.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.36 -37.33 44.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.753 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -61.29 -29.18 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.72 31.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -6.65 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.06 126.44 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 97' ' ' THR . 1.3 mtt85 -80.72 151.98 28.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -85.07 -44.22 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -102.52 153.72 37.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.1 -36.28 2.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -6.05 88.85 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.42 167.49 21.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.16 -60.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -171.28 -176.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.3 pm0 -129.67 172.93 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.814 ' OH ' HG22 ' A' ' 97' ' ' THR . 5.7 m-30 -59.41 178.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.35 175.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -56.28 -18.91 11.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.18 -45.07 67.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CE1' HD21 ' A' ' 21' ' ' LEU . 43.7 m80 -71.0 -36.87 72.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.646 HG23 H121 ' A' ' 1' ' ' MYR . 14.3 mt -69.26 -37.75 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' LEU . 12.1 t -67.64 -40.46 84.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ2' HD12 ' A' ' 78' ' ' LEU . 4.1 t90 -63.95 -48.98 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -60.82 -39.29 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -43.02 99.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 78' ' ' LEU . 2.0 tp10 -58.44 -47.13 84.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 60' ' ' ILE . 3.8 mm? -57.94 -50.39 73.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -32.9 67.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -23.28 43.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CB ' HG12 ' A' ' 46' ' ' VAL . 3.2 m-85 -85.04 12.91 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 59.18 34.06 23.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.644 HG11 HD13 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -125.0 150.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.338 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 50' ' ' LEU . 97.1 m-20 -75.92 126.11 87.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -36.26 2.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.24 -24.24 58.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.38 -11.96 47.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HG ' ' A' ' 41' ' ' LEU . 13.2 mt -77.23 -0.89 26.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.74 -4.92 45.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 p -124.16 138.67 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' OE1' ' A' ' 90' ' ' GLN . 6.5 p -56.78 -32.72 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -72.62 -37.43 68.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -63.48 -46.88 91.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.584 1.177 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.9 p -68.83 -37.88 79.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -64.11 -38.35 90.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -47.45 69.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.205 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.965 HG21 HD11 ' A' ' 41' ' ' LEU . 41.7 mt -60.72 -50.18 81.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' A' ' 82' ' ' ILE . 2.9 tp -58.05 -36.26 72.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.34 -23.93 72.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.82 -41.18 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.9 pp -91.71 -13.8 31.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.1 mm-40 -40.17 -51.88 5.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -28.58 9.0 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -62.83 -12.98 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.078 HD11 ' CD1' ' A' ' 79' ' ' TYR . 3.9 mt -69.12 -33.51 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.4 tt0 -36.75 -65.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -116.8 38.41 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.45 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -80.45 173.3 54.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.0 p -94.11 167.4 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.445 0.733 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.14 -43.06 87.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -44.51 79.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD22 ' HA3' ' A' ' 71' ' ' GLY . 2.8 tt -59.61 -40.69 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -61.78 -50.51 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -55.12 -33.93 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.007 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -68.34 -46.87 69.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.078 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.7 t80 -55.82 -42.82 76.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.619 ' ND2' HD12 ' A' ' 101' ' ' LEU . 37.8 t-20 -66.21 -43.02 87.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.587 HG22 ' HH2' ' A' ' 16' ' ' TRP . 58.5 m -60.96 -41.6 96.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 61' ' ' LEU . 74.7 mt -65.15 -40.51 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.5 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.9 t -61.01 -40.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.876 HD22 H132 ' A' ' 1' ' ' MYR . 6.4 tp -59.01 -44.58 91.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.72 ' CD2' HD11 ' A' ' 104' ' ' ILE . 20.5 t80 -61.99 -42.98 99.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.474 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -58.33 -41.9 85.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 84' ' ' VAL . 9.3 t -63.13 -42.13 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.557 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 88.4 m-70 -60.76 -35.21 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.541 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -86.98 2.93 47.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 64.02 52.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 87' ' ' CYS . 9.2 mt -110.09 131.98 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 171.25 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.354 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -146.39 -47.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -141.4 157.48 45.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.814 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.3 p -59.89 -37.58 79.79 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.82 91.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -68.03 -38.6 82.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.685 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.72 -37.83 76.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 ' ND2' ' A' ' 80' ' ' ASN . 4.3 mt -68.9 -41.45 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.03 -32.26 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.92 -49.05 66.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.72 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -70.28 -34.97 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -40.05 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.86 -51.11 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -42.22 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -67.01 -45.97 75.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -53.03 -53.02 56.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -36.5 83.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -56.45 -57.32 12.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.13 -50.9 68.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.99 -49.26 41.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.42 -48.55 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.36 46.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -48.42 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 2.0 tt0 -48.62 -45.54 38.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 122' ' ' THR . . . -67.89 -51.36 48.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.7 -20.81 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -81.73 -58.34 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 122' ' ' THR . 2.7 m-20 -159.21 71.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.521 HG23 ' HB1' ' A' ' 118' ' ' ALA . 2.4 m -38.52 -60.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.08 -124.87 2.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 179.29 149.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 0.809 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.01 150.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 m -169.29 163.02 10.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.09 144.16 44.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 129' ' ' SER . 7.9 p -173.37 -50.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 128' ' ' VAL . 1.5 t -45.7 137.93 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.88 106.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -110.23 165.72 11.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.82 ' C11' HD21 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.44 -63.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.02 113.4 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 174.65 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.93 51.03 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.977 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.787 HG12 ' HG ' ' A' ' 8' ' ' LEU . 59.7 t -125.89 -78.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.787 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -132.44 174.07 10.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -77.64 -179.45 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.74 -55.91 27.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.44 -43.66 85.19 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 9.4 mm-40 -61.41 -37.6 84.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -44.96 74.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -56.27 -43.28 78.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -70.95 -40.56 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.755 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -57.07 -30.84 64.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.1 tt0 -90.81 30.58 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 -3.63 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.11 137.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 5.5 mtt-85 -103.92 145.57 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -80.27 -39.09 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -99.12 151.96 37.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -40.28 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.8 -9.86 80.16 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 115.28 168.99 15.71 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.73 -60.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.8 pttt -168.52 158.62 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 3.4 mt-30 -116.78 170.21 8.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 36.5 m-85 -63.42 169.81 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -179.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.22 -21.87 25.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -67.09 -45.25 77.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.756 ' HE1' HD11 ' A' ' 21' ' ' LEU . 7.9 m170 -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.617 HD13 H141 ' A' ' 1' ' ' MYR . 3.0 mm -66.08 -42.42 91.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 31' ' ' LEU . 10.6 t -67.56 -37.94 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 40.1 t90 -63.86 -49.13 73.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.776 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.17 -36.09 74.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -41.9 95.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HG3' ' CE1' ' A' ' 44' ' ' PHE . 5.2 tp10 -68.34 -38.57 81.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.992 HD11 HD13 ' A' ' 60' ' ' ILE . 3.6 mm? -57.94 -50.09 74.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -69.64 -21.41 63.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 2.2 m-85 -84.78 12.65 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.33 32.16 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.805 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -124.96 150.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.758 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 m-20 -75.57 138.02 70.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.5 90.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.005 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.48 -15.14 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.751 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.839 HD22 ' HG ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -90.44 -0.51 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.37 -4.82 44.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -112.04 143.5 42.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -33.3 66.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -41.94 72.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.05 -39.81 88.73 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.0 t -64.0 -45.03 90.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.617 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.6 ttp180 -67.69 -35.96 79.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.3 -51.21 68.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.596 1.185 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.992 HD13 HD11 ' A' ' 41' ' ' LEU . 25.8 mt -59.03 -50.13 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 79' ' ' TYR . 5.1 tp -56.03 -37.33 69.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.37 -23.74 72.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -73.78 -41.1 62.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 79' ' ' TYR . 1.6 pp -94.66 -10.92 30.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.57 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -38.35 -52.73 3.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -31.95 5.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -57.08 -17.36 10.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 79' ' ' TYR . 41.7 mt -65.43 -41.7 93.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -36.81 -68.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 t -112.61 36.84 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.25 -176.86 51.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -100.91 166.68 10.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 110.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.3 -42.9 78.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.87 -44.5 76.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.95 -44.01 82.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -60.99 -51.69 68.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -55.28 -34.12 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -66.66 -46.91 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.061 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -56.96 -43.01 81.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.495 ' CG ' HD11 ' A' ' 101' ' ' LEU . 3.4 m-80 -63.77 -43.9 95.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 ' HH2' ' A' ' 16' ' ' TRP . 2.0 m -60.79 -46.76 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.539 HG23 ' SG ' ' A' ' 57' ' ' CYS . 73.9 mt -60.1 -41.42 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.17 76.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.5 t -62.4 -40.85 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.583 HD23 ' CZ3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -58.97 -43.92 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.382 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.711 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.0 t80 -61.84 -45.09 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 m -56.97 -41.25 78.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 84' ' ' VAL . 11.0 t -66.08 -36.96 78.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 4.8 m-70 -62.0 -39.4 92.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.498 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.0 mt-30 -86.95 -4.99 59.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.48 56.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.498 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -109.97 127.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.04 132.77 54.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.16 157.99 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -130.51 -46.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -140.04 160.73 39.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.0 t -59.99 -45.37 92.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -40.54 94.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.95 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.87 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.495 HD11 ' CG ' ' A' ' 80' ' ' ASN . 13.1 mt -68.97 -48.75 62.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -67.54 -33.04 74.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.03 73.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.711 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -69.81 -34.91 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -39.96 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -69.03 -49.55 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.98 -50.7 70.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -56.72 -50.93 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.03 -48.23 67.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -42.97 91.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.0 t -57.22 -56.27 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.38 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.08 -52.03 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -51.61 -52.55 46.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.26 -52.39 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.62 -51.69 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.622 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 3.8 tp60 -50.83 -41.85 57.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 122' ' ' THR . . . -63.16 -65.76 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -46.7 -25.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -68.6 -67.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 122' ' ' THR . 10.6 t0 -140.37 65.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 169.38 168.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 122' ' ' THR . . . -104.45 -158.87 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.143 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -147.81 -51.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 0.768 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 174.85 165.31 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.74 88.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -71.07 154.9 41.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -165.13 147.53 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 32.4 t -123.5 113.45 18.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.63 170.36 8.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -166.8 158.53 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.603 H131 ' HB1' ' A' ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.03 108.3 5.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.1 151.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.236 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -90.74 152.83 20.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -104.99 -32.55 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.4 t -94.23 -74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.052 HD21 ' CG ' ' A' ' 16' ' ' TRP . 1.9 tp -68.52 117.64 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.602 1.189 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -82.56 -175.66 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.17 -62.49 5.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.415 1.072 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.74 -42.33 87.28 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' CG ' HG12 ' A' ' 88' ' ' VAL . 21.4 mt-10 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.988 HD13 HD23 ' A' ' 8' ' ' LEU . 9.0 tp -75.24 -44.02 48.42 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.69 -43.24 38.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 1.052 ' CG ' HD21 ' A' ' 8' ' ' LEU . 19.7 t-105 -57.13 -22.85 43.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -90.96 11.26 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -130.25 6.84 4.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 16' ' ' TRP . 92.6 mt -87.37 134.5 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -96.83 156.49 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.227 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.021 HD23 ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -95.29 -31.54 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -113.23 152.44 45.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.61 2.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.81 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.63 -11.16 68.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 116.8 167.67 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 22.8 tttt 160.75 -60.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -169.66 179.44 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 3.8 pm0 -129.22 178.79 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 1.021 ' CE1' HD23 ' A' ' 21' ' ' LEU . 24.5 m-85 -87.46 151.0 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.58 -177.8 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.33 -19.0 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -45.57 69.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 33' ' ' HIS . 8.2 m170 -71.45 -35.98 71.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.759 HG13 HD22 ' A' ' 8' ' ' LEU . 3.2 mm -67.48 -42.23 86.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 31' ' ' LEU . 24.9 t -65.69 -40.34 87.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CH2' HD12 ' A' ' 78' ' ' LEU . 46.8 t90 -63.91 -49.17 73.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 108.029 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.91 -36.93 80.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.45 ' CB ' H101 ' A' ' 1' ' ' MYR . 23.1 t -66.3 -40.12 89.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.94 -43.05 99.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.7 tp10 -66.54 -39.72 88.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 60' ' ' ILE . 3.1 mm? -57.92 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -33.47 76.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -23.92 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.2 m-85 -85.02 12.2 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 68.14 9.58 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.378 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 41' ' ' LEU . 12.0 p -107.76 150.17 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.67 129.92 80.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.25 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.97 -21.61 53.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -65.33 -12.01 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 60' ' ' ILE . 46.6 mt -77.97 -0.45 27.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 6' ' ' SER . 10.4 pt-20 -76.25 -4.73 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -122.34 131.54 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -30.3 63.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.61 -49.05 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.38 95.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 13.1 p -64.27 -40.08 95.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -59.91 -38.98 83.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.65 -47.74 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.199 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 41' ' ' LEU . 74.3 mt -58.99 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -56.03 -44.14 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.54 -23.8 77.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.96 -41.04 68.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 64' ' ' LEU . 6.1 mt -90.01 -14.92 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -40.26 -52.04 5.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.243 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.0 -33.7 4.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.528 ' OG ' HD21 ' A' ' 75' ' ' LEU . 24.5 p -56.9 -17.37 9.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' A' ' 79' ' ' TYR . 65.7 mt -67.09 -41.87 85.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.0 mm-40 -35.33 -67.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -116.6 40.01 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.519 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.67 172.34 46.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.08 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 p -93.19 168.76 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.77 -42.97 90.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.85 -44.56 80.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD21 ' OG ' ' A' ' 67' ' ' SER . 7.1 tt -59.52 -40.51 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.523 ' HG2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.38 -51.52 68.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -55.76 -35.97 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -64.41 -47.3 79.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.042 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -57.27 -42.27 81.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 4.6 m-80 -62.9 -43.35 99.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.518 HG23 ' HE2' ' A' ' 29' ' ' TYR . 8.0 m -60.72 -41.46 95.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.521 HG22 ' HG ' ' A' ' 61' ' ' LEU . 49.2 mt -63.34 -43.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -59.35 -39.05 81.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.013 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.3 t -67.27 -40.84 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 51' ' ' LEU . 1.1 tm? -62.81 -32.85 74.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -71.73 -45.11 62.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG21 ' A' ' 94' ' ' VAL . 5.4 p -63.26 -30.96 72.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.9 t -71.81 -43.98 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 51' ' ' LEU . 2.1 m-70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.443 ' CB ' HD12 ' A' ' 92' ' ' ILE . 4.3 mm-40 -87.03 -15.99 37.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 69.5 52.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.787 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mt -95.36 122.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -52.62 101.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.808 HG21 ' SG ' ' A' ' 87' ' ' CYS . 20.0 m -149.64 157.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 23.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -161.34 137.36 8.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.5 t -59.9 -41.9 92.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -45.04 92.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -65.65 -32.13 73.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.365 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.27 81.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 13.9 mt -64.6 -39.38 93.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -65.02 -38.18 90.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -49.0 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.653 HD12 ' HB1' ' A' ' 83' ' ' ALA . 25.6 mt -61.41 -39.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.86 -39.47 94.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.25 -54.98 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.02 -51.86 66.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -50.57 68.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -53.09 -48.74 67.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -42.89 91.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -56.24 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -51.19 -52.23 46.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -51.13 -52.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -51.88 -48.27 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -50.84 -51.89 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -58.03 -47.36 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.395 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -48.92 -45.92 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -69.2 -48.92 60.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -45.08 -43.6 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 122' ' ' THR . . . -81.6 -27.55 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ALA . 33.8 t70 -64.35 -24.91 67.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 120' ' ' ALA . 13.6 p 38.61 -155.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.69 84.73 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -146.55 162.01 39.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -107.0 167.7 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.625 1.203 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.97 166.81 15.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -125.41 73.27 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.9 t -45.53 143.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -123.79 157.83 33.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -175.53 119.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.54 134.13 55.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.899 H142 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.15 65.48 6.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 0.805 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.21 101.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.84 164.05 10.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.63 53.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.871 HG21 H112 ' A' ' 1' ' ' MYR . 2.4 t -150.38 -79.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.022 HD11 HD12 ' A' ' 85' ' ' LEU . 5.3 mt -102.07 140.38 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -74.51 -176.9 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.65 -57.21 20.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.98 97.21 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.75 -31.02 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.352 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.05 -45.02 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.78 -41.58 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.733 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.8 -32.78 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 108.07 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 1.6 tt0 -90.14 33.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.69 -6.71 10.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 16' ' ' TRP . 1.8 mt -87.96 139.83 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 3.2 ptp180 -94.54 149.91 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.266 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD11 ' HE1' ' A' ' 33' ' ' HIS . 2.5 mt -77.57 -44.58 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -118.36 155.61 51.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.1 Cg_endo -75.02 -35.44 3.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 0.42 30.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.52 -169.97 46.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.28 47.52 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 10.1 mttt -123.12 149.06 44.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.211 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' C ' HD21 ' A' ' 21' ' ' LEU . 8.8 mt-30 -140.24 167.25 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.769 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -70.74 161.38 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -170.05 174.62 5.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -58.14 -22.44 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.37 82.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.696 ' HE1' HD11 ' A' ' 21' ' ' LEU . 7.2 m170 -71.22 -35.93 71.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.72 HG12 H143 ' A' ' 1' ' ' MYR . 11.2 mt -66.76 -38.74 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.0 t -69.27 -39.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.714 ' CE2' HD12 ' A' ' 78' ' ' LEU . 2.9 t90 -63.75 -49.22 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.22 -36.05 80.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 8.6 t -60.92 -45.69 93.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.11 99.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 44' ' ' PHE . 3.9 tp10 -57.1 -47.87 80.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.945 HD21 HD13 ' A' ' 60' ' ' ILE . 2.7 mp -57.95 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.2 -33.03 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -80.01 -21.22 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.63 -8.99 58.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.64 41.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.0 p -125.0 147.6 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.953 ' CB ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.85 128.78 82.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.91 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.54 -38.37 94.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.953 HD23 ' CB ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -67.96 -16.25 63.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.2 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD22 HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.67 -9.09 52.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.91 -4.91 46.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 p -112.53 133.86 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -29.18 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.44 -46.94 65.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.752 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -60.98 -42.46 99.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 85' ' ' LEU . 45.5 t -63.85 -43.43 96.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.33 -39.14 86.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -46.02 86.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.945 HD13 HD21 ' A' ' 41' ' ' LEU . 11.4 mt -58.95 -50.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.9 -36.05 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -26.17 71.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.04 -38.13 61.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 68' ' ' LEU . 10.3 mt -88.94 -16.88 30.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -52.88 2.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -59.68 -25.87 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.47 -34.58 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 3.1 tt0 -36.29 -68.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -113.73 44.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.73 172.38 51.86 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.7 p -94.07 169.28 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -59.28 -43.02 92.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -44.36 78.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 68' ' ' LEU . 10.3 tt -61.4 -35.0 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -51.66 57.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 t -55.0 -38.46 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -65.13 -45.79 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' A' ' 68' ' ' LEU . 78.1 t80 -55.98 -43.09 77.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.519 ' HB3' HG22 ' A' ' 97' ' ' THR . 1.6 m120 -65.1 -42.1 94.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.475 HG22 ' HH2' ' A' ' 16' ' ' TRP . 94.3 m -62.56 -41.87 99.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.84 -47.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -43.61 81.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.926 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.4 t -59.97 -41.54 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.022 HD12 HD11 ' A' ' 8' ' ' LEU . 5.5 tp -58.93 -46.05 88.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -61.99 -36.88 82.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.4 m -63.38 -41.54 98.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -67.99 -33.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 45.1 m-70 -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.626 ' HB3' HD12 ' A' ' 92' ' ' ILE . 22.6 tp60 -88.93 -15.93 33.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.9 52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -109.19 131.95 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.4 125.72 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 19' ' ' ILE . 1.4 m -123.42 171.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -146.03 -61.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -123.24 161.77 23.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.621 HG23 ' OH ' ' A' ' 29' ' ' TYR . 2.2 m -59.96 -37.01 78.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.15 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.404 ' CD ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -65.91 -32.02 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -65.33 -50.1 66.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 101' ' ' LEU . 1.5 mt -69.03 -30.99 69.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -68.44 -41.23 80.6 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.06 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.998 HD12 ' HB1' ' A' ' 83' ' ' ALA . 20.2 mt -63.74 -35.18 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.56 -53.55 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.91 -51.09 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -56.02 -49.94 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -53.1 -49.03 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.195 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -42.84 91.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -56.14 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.062 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -51.27 -52.25 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -51.08 -51.97 48.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -51.66 -52.92 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.36 46.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -50.95 61.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -50.8 60.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.52 -58.34 8.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.48 -60.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.58 26.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.55 -63.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.1 t -77.5 169.26 18.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.78 147.8 1.51 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -170.84 167.6 7.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -177.15 166.0 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.59 170.45 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -149.53 171.38 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 129' ' ' SER . 8.6 p -116.23 168.13 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.432 ' H ' HG22 ' A' ' 128' ' ' VAL . 97.6 p -136.95 170.55 15.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.83 171.31 14.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -179.52 165.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.237 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.86 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.03 72.95 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 0.704 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.01 165.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 164.68 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -147.81 59.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.858 HG21 H122 ' A' ' 1' ' ' MYR . 3.2 t -134.41 -75.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -132.35 179.08 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -86.5 -179.3 6.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.63 -55.98 27.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.25 88.8 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 47.0 mt-10 -61.01 -31.59 71.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.42 -45.04 73.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -28.58 64.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -69.09 -33.2 73.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.028 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -90.76 31.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -118.1 -5.81 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.224 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.16 125.81 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -86.22 146.86 26.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 33' ' ' HIS . 9.3 mt -76.6 -40.35 49.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -107.96 152.97 41.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.05 -36.47 2.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.01 -6.43 88.91 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 107.99 167.04 21.48 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 161.04 -60.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -169.63 179.69 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -132.0 169.92 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -60.78 167.17 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 176.08 5.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.51 -25.47 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -45.21 92.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CE1' HD21 ' A' ' 21' ' ' LEU . 42.1 m170 -71.05 -35.96 72.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.86 HG12 H143 ' A' ' 1' ' ' MYR . 15.1 mt -62.85 -44.67 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 31' ' ' LEU . 3.3 t -72.17 -30.86 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.407 ' CH2' ' HB3' ' A' ' 77' ' ' SER . 59.5 t90 -65.64 -45.67 82.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.77 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -68.58 -49.27 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -56.95 -35.12 68.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -70.59 -43.04 70.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HG2' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -60.64 -50.18 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 37' ' ' ALA . 3.4 mp -58.09 -51.13 70.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -56.07 -33.03 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -23.85 42.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 40' ' ' GLU . 3.2 m-85 -84.93 11.73 8.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 72.18 14.88 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.62 150.08 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.603 1.189 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.831 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.8 m-80 -76.06 137.67 68.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -65.8 -25.68 71.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.084 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -65.64 -15.48 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.735 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.9 tp -92.65 -0.9 57.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 6.2 pt-20 -76.93 -4.89 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 52' ' ' GLU . 11.5 p -115.61 139.0 50.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.8 OUTLIER -56.93 -31.69 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.38 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.078 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.18 -35.35 91.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HG23 ' A' ' 82' ' ' ILE . 45.2 t -66.5 -45.05 80.85 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -42.3 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.17 -48.61 81.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.084 HD11 HD11 ' A' ' 50' ' ' LEU . 3.4 mt -58.9 -44.87 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.778 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -54.84 -44.64 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.2 -22.73 78.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.37 -41.24 76.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.99 -11.83 25.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -36.93 -55.74 1.55 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.12 -34.05 4.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.475 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 3.4 t -56.85 -17.43 9.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.131 HD11 ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.1 -40.45 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.2 mm-40 -38.15 -42.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -141.81 34.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -78.19 172.77 55.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.406 1.066 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -88.84 170.42 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.67 94.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -44.7 75.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 71' ' ' GLY . 1.1 tt -59.59 -42.15 91.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -60.93 -50.97 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -55.13 -34.31 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.804 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -66.9 -47.38 71.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.131 ' CD1' HD11 ' A' ' 68' ' ' LEU . 10.0 t80 -56.75 -41.06 76.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.566 ' OD1' HD11 ' A' ' 101' ' ' LEU . 41.0 m-20 -65.28 -44.86 86.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -60.86 -42.34 97.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.778 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.5 mm -61.32 -44.02 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.757 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.93 -48.43 78.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.411 1.07 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.922 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t -62.82 -38.12 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.84 HD13 H142 ' A' ' 1' ' ' MYR . 61.7 tp -59.99 -49.99 75.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.04 -34.95 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 25.9 t -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 84' ' ' VAL . 4.6 t -65.95 -35.5 75.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.523 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 76.2 m-70 -67.77 -29.91 69.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 92' ' ' ILE . 5.1 mm-40 -90.08 -16.18 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 67.22 51.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 90' ' ' GLN . 7.7 mt -109.39 132.07 58.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.78 138.76 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -149.62 171.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -47.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -134.02 173.72 11.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 6.0 t -65.83 -44.2 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -45.02 96.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.23 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.0 -44.85 91.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.72 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 80' ' ' ASN . 6.9 mt -58.02 -42.22 84.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -31.94 73.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -32.81 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.757 HD12 ' HB1' ' A' ' 83' ' ' ALA . 62.6 mt -75.09 -37.83 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.64 64.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -69.32 -36.94 77.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 1.4 tt0 -69.09 -48.06 63.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.58 -46.55 89.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -51.99 66.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.04 86.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.8 t -55.31 -55.65 29.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -52.01 -52.44 50.75 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -50.4 -50.3 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -52.83 -54.26 36.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.24 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -41.7 59.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -64.35 -65.26 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.63 -23.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.63 -37.06 31.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 117' ' ' GLN . . . -77.31 -15.68 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.66 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.7 t 38.74 51.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.64 -129.68 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -167.66 167.58 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -117.5 167.17 11.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.07 170.36 16.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.76 122.67 4.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t -113.02 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 170.36 9.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.133 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -147.85 171.38 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 63.63 148.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 29.6 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.777 H143 ' CD1' ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.91 -58.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -73.12 126.69 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.56 173.81 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -147.05 26.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.717 HG22 H102 ' A' ' 1' ' ' MYR . 2.2 t -104.57 -69.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -129.24 -176.07 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.63 -177.8 5.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -59.12 11.38 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.501 1.125 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.5 -48.44 55.13 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.4 mt-10 -60.79 -30.92 70.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' OE1' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -68.23 -45.14 74.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.221 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.93 -46.46 87.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -68.94 -30.36 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.762 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -69.6 -28.16 65.7 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' OE1' HD12 ' A' ' 13' ' ' LEU . 3.8 mt-10 -90.1 31.0 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -4.89 10.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.23 121.14 37.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -84.63 140.2 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 33' ' ' HIS . 14.2 mt -69.93 -43.71 71.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CD ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -95.46 153.42 39.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.21 2.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.754 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.65 -16.24 66.41 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.72 168.47 13.62 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' CE ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 161.45 -60.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -168.19 169.46 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -119.79 164.2 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' A' ' 97' ' ' THR . 4.9 m-30 -51.03 177.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -179.17 174.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.45 -19.84 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -45.19 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CE1' HD11 ' A' ' 21' ' ' LEU . 52.3 m80 -71.21 -35.85 71.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.555 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 9.4 mt -66.76 -36.81 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.7 -38.91 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CH2' HD22 ' A' ' 78' ' ' LEU . 24.0 t90 -65.18 -45.37 85.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 107.952 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.749 ' CB ' H142 ' A' ' 1' ' ' MYR . . . -57.85 -50.43 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.425 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 12.0 p -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -42.99 99.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 13.0 tp10 -66.59 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.912 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -63.34 -51.05 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -32.96 74.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -22.99 58.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.673 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -84.83 -4.22 58.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 81.73 18.74 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.6 p -111.57 150.06 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.983 ' O ' HD12 ' A' ' 50' ' ' LEU . 12.3 m-20 -76.23 137.63 68.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' HB2' ' C7 ' ' A' ' 1' ' ' MYR . 18.4 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -36.84 90.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.036 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.3 -11.75 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.912 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.16 -0.71 57.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' SER . 8.2 pt-20 -78.5 -4.84 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.4 p -115.12 139.33 49.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.85 -32.4 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.5 74.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.766 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -65.57 -40.29 95.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 49.3 t -64.02 -45.13 90.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 1.7 tmt_? -61.4 -37.35 83.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -46.73 85.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.96 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 mt -58.83 -49.03 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 79' ' ' TYR . 13.2 tp -55.97 -40.14 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.77 -27.1 72.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -37.5 67.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' GLN . 12.2 mt -88.75 -17.11 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -38.05 -53.47 2.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.95 -37.9 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -56.89 -17.63 10.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 79' ' ' TYR . 81.6 mt -63.5 -42.21 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -36.5 -68.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 t -113.54 37.4 3.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.28 172.87 54.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.564 1.165 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -94.47 167.83 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -58.58 -42.73 88.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.41 -44.48 78.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.14 -42.07 85.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.92 -50.45 72.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.4 t -56.24 -36.2 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.876 HD12 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.87 -47.17 78.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 68' ' ' LEU . 65.9 t80 -56.75 -43.02 80.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.65 -47.37 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' HH2' ' A' ' 16' ' ' TRP . 12.1 m -60.72 -41.55 95.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.876 HD11 HD12 ' A' ' 78' ' ' LEU . 21.5 mt -60.0 -45.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.02 76.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.2 t -60.02 -36.81 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.777 ' CD1' H143 ' A' ' 1' ' ' MYR . 0.8 OUTLIER -58.94 -46.93 86.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.681 ' CD2' HD11 ' A' ' 104' ' ' ILE . 68.3 t80 -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.639 ' SG ' HD13 ' A' ' 104' ' ' ILE . 83.8 m -57.15 -38.2 73.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.7 t -73.07 -40.08 58.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.61 ' NE2' HD22 ' A' ' 85' ' ' LEU . 91.5 m-70 -65.63 -21.45 66.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.2 mm-40 -106.11 -3.74 21.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.14 56.43 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.2 mt -103.99 131.99 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -47.0 117.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.6 m -128.58 171.28 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -163.55 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 1.7 p-10 -138.79 158.79 43.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.581 HG22 ' OH ' ' A' ' 29' ' ' TYR . 37.8 p -60.0 -35.36 74.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -41.74 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' HG2' ' CG ' ' A' ' 95' ' ' LYS . 34.7 tp10 -68.01 -32.36 72.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.845 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.04 -49.99 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 79' ' ' TYR . 6.3 tp -65.6 -34.3 77.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.07 -42.05 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -49.07 76.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -66.46 -35.01 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -65.48 -39.87 92.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.14 -47.63 70.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 110.265 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -32.91 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -48.77 67.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -64.1 -52.96 56.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -28.74 67.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t -67.57 -57.19 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -54.22 -52.03 62.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -49.92 -49.85 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -53.09 46.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.81 -52.98 45.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.28 -49.44 61.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -51.95 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.07 -57.06 13.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.52 -48.76 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.72 -56.1 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.49 -62.6 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 123' ' ' GLY . 4.9 t -64.41 -48.29 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.474 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 122' ' ' THR . . . -154.58 -99.38 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.424 1.077 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 175.36 167.38 0.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -162.44 167.25 23.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.79 170.19 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -154.64 149.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.32 150.54 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.4 170.1 11.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.33 117.03 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -112.24 166.84 10.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 1.02 H143 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.09 154.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 0.801 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 57.41 94.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.93 177.7 6.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.62 48.38 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 ' CD2' ' A' ' 8' ' ' LEU . 3.3 t -121.31 -73.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.78 ' HG ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -130.69 171.2 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -176.67 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.07 -60.32 9.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.1 -49.45 43.18 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -60.91 -30.73 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.68 -45.26 79.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -43.87 97.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -71.28 -24.89 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.701 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.7 t-105 -68.01 -42.25 80.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.22 40.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.59 -12.21 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 4.1 mtt-85 -86.57 151.68 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' LYS . 38.1 mt -81.0 -35.97 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.35 153.25 81.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -35.99 2.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.65 -0.3 42.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.39 -170.59 43.71 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 47.06 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.826 ' HB3' HD12 ' A' ' 21' ' ' LEU . 5.6 mttt -126.43 160.38 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -154.8 -179.17 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.1 m-85 -70.47 152.87 43.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HD3' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -162.57 175.06 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -57.08 -23.12 44.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -64.35 -45.57 87.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.674 ' CE1' HD21 ' A' ' 21' ' ' LEU . 5.7 m170 -71.2 -35.63 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 H131 ' A' ' 1' ' ' MYR . 10.4 mt -66.36 -37.53 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.5 t -70.46 -40.01 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CH2' HD12 ' A' ' 78' ' ' LEU . 44.7 t90 -63.71 -49.16 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.808 ' HB3' H132 ' A' ' 1' ' ' MYR . . . -60.77 -46.24 91.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 25.3 p -56.72 -42.99 80.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -39.71 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HG2' HD13 ' A' ' 78' ' ' LEU . 3.9 tp10 -67.42 -38.06 84.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.8 mm? -61.17 -51.21 70.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.86 -40.98 90.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.06 -23.55 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.2 m-85 -84.92 1.64 46.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.13 21.17 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 44' ' ' PHE . 27.9 t -96.96 150.13 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -75.73 124.07 88.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.461 ' HB2' ' C8 ' ' A' ' 1' ' ' MYR . 18.1 Cg_endo -74.93 -36.08 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.1 96.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -70.46 -15.76 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.721 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 60' ' ' ILE . 10.7 tp -81.57 -2.72 51.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -81.02 -4.93 56.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 p -112.84 143.87 43.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.4 p -56.87 -33.37 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -65.9 -49.01 69.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.83 -44.59 94.22 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.804 ' SG ' HD23 ' A' ' 85' ' ' LEU . 44.7 t -63.94 -37.43 87.38 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -40.03 87.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -52.05 66.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.715 HD13 HD13 ' A' ' 51' ' ' LEU . 5.3 mt -59.22 -40.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.75 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.99 -47.04 78.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -23.89 77.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -36.45 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 64' ' ' LEU . 5.4 mt -95.19 -16.24 22.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm-40 -38.35 -53.31 3.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -33.34 4.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -57.1 -17.3 10.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 ' CD1' ' A' ' 79' ' ' TYR . 22.4 mt -71.27 -40.55 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 tp60 -36.35 -40.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 t -146.72 40.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.86 172.77 50.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.39 167.63 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.83 -43.11 85.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.2 -44.56 79.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.077 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.9 tt -59.31 -41.56 89.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -61.14 -50.62 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -34.57 64.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -66.97 -47.08 72.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD11 ' A' ' 68' ' ' LEU . 20.7 t80 -56.97 -40.39 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 97' ' ' THR . 25.8 t-20 -65.14 -46.66 80.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.525 HG22 ' HH2' ' A' ' 16' ' ' TRP . 28.6 m -60.87 -40.96 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.773 HG23 ' SG ' ' A' ' 57' ' ' CYS . 44.1 mt -61.73 -44.1 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -57.13 -49.15 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.756 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.4 t -63.89 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.02 HD13 H143 ' A' ' 1' ' ' MYR . 23.8 tp -58.95 -37.24 76.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' A' ' 104' ' ' ILE . 41.4 t80 -76.05 -35.58 59.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' ILE . 46.3 m -59.03 -42.7 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 108.4 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.13 -47.25 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.497 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 10.6 m-70 -55.19 -25.6 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.532 ' CB ' HD12 ' A' ' 92' ' ' ILE . 5.4 mm100 -96.23 -16.29 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.0 ttm180 81.12 51.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.532 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.1 mt -110.08 132.08 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.79 145.08 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.54 171.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -47.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 0.0 109.287 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.493 ' OD2' ' CG ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -131.98 154.97 48.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 80' ' ' ASN . 9.5 t -59.99 -32.68 71.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -70.13 -41.57 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 mm-40 -64.16 -38.36 90.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.595 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -71.14 -35.65 71.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.855 HD21 ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -67.87 -45.3 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.02 -31.95 68.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.04 71.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.721 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -71.53 -36.86 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.0 -51.24 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.0 -51.02 69.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -55.55 -51.28 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -53.01 -48.35 67.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -42.99 91.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -57.57 -56.21 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -51.29 -52.5 44.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -50.9 -52.06 45.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -52.92 44.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.5 45.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.14 -51.02 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -50.97 60.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.57 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.68 -61.08 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 19.2 m -56.83 105.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 89.39 66.83 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -77.38 167.36 21.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.56 133.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -164.25 169.39 17.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.36 139.34 6.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t -113.5 143.66 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.6 m -75.02 170.05 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.09 171.16 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 63.54 94.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.639 ' H82' HG23 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.53 -63.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 0.731 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ALA . 8.2 ptt85 -111.29 51.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.88 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.41 ' HA ' ' OE2' ' A' ' 52' ' ' GLU . 1.3 m -167.64 60.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.05 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.841 HG12 ' HG ' ' A' ' 8' ' ' LEU . 76.3 t -136.37 -51.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -143.85 135.44 26.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -51.38 -177.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.52 -56.96 22.3 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.533 1.146 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.51 97.5 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 8' ' ' LEU . 2.1 mm-40 -60.86 -30.92 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.64 -45.1 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.1 -48.33 82.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.49 80.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.658 ' HB2' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -56.95 -39.75 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.95 36.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -115.64 -9.41 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' GLN . 3.7 mp -86.97 143.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.363 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -101.62 150.37 23.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 33' ' ' HIS . 6.4 mt -83.16 -37.31 23.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -104.34 152.42 39.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.43 2.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.2 -9.64 72.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 114.59 168.34 15.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 tttt 161.31 -60.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.2 167.89 13.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.238 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 pm0 -123.26 168.07 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.771 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -58.82 167.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 179.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.05 -24.99 27.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.59 -45.01 88.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 21' ' ' LEU . 54.9 m80 -70.7 -35.97 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.556 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 42.5 mt -66.98 -36.38 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 31' ' ' LEU . 29.8 t -71.18 -39.99 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 41.1 t90 -64.0 -49.04 74.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -59.75 -51.21 70.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.455 ' CB ' ' H92' ' A' ' 1' ' ' MYR . 3.9 p -56.95 -33.17 66.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -67.66 -43.03 81.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -67.41 -46.97 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.062 HD11 HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -60.73 -50.39 73.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.96 -42.86 72.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -72.36 -23.66 61.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.9 m-85 -84.95 -9.08 58.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.02 44.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.03 147.46 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 13.3 m-20 -76.01 126.27 87.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HA ' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.06 -38.21 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.88 -19.5 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.15 -20.79 64.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 0.723 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 48' ' ' PRO . 2.0 mt -79.09 -0.96 33.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 37.8 tt0 -76.94 -4.96 46.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -125.05 141.24 52.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 25.6 p -57.28 -32.77 66.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.17 -49.12 63.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -56.74 -44.34 91.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.04 -41.85 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 5.7 ttp180 -62.11 -40.35 95.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.369 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.99 -52.06 66.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 41' ' ' LEU . 21.1 mt -59.75 -47.78 90.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -55.94 -42.76 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.85 73.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -72.52 -27.89 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' GLN . 15.9 mt -91.95 -21.33 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.95 -55.57 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -56.72 -35.09 68.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.18 -31.62 72.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LEU . 21.2 tm0? -34.21 -40.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 t -150.42 42.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.713 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.15 170.62 49.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 p -88.0 171.56 10.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.3 -42.57 95.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 -44.32 75.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.713 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.0 tt -61.11 -35.12 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' CG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.17 -48.31 68.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 t -54.87 -47.16 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -59.64 -47.05 87.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 1.7 t80 -58.31 -42.32 86.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.799 ' HA ' HD21 ' A' ' 101' ' ' LEU . 5.3 m-20 -59.72 -44.49 93.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' HH2' ' A' ' 16' ' ' TRP . 34.8 m -60.77 -41.48 95.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.062 HD11 HD11 ' A' ' 41' ' ' LEU . 6.5 mm -61.38 -46.23 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.79 -43.78 81.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.3 t -62.57 -37.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 8' ' ' LEU . 1.3 tm? -62.78 -38.1 89.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 17.0 t80 -76.2 -35.58 59.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -39.9 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.17 -47.16 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.867 ' CE1' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -53.14 -39.79 63.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.88 -16.28 36.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.175 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 72.96 61.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 94' ' ' VAL . 5.7 mt -110.18 126.37 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -41.66 125.44 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 92' ' ' ILE . 3.9 m -145.31 171.31 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -157.1 -45.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.46 164.74 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -59.96 -33.95 72.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.162 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -40.31 75.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.51 -47.98 83.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.99 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -64.53 -45.0 89.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -71.12 -37.34 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.5 HD11 ' HD2' ' A' ' 86' ' ' TYR . 3.5 mm -69.04 -34.91 66.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -39.97 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -51.47 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -52.02 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 65' ' ' GLN . 12.7 mm-40 -55.79 -50.45 70.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -53.24 -48.71 67.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -42.94 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 m -57.27 -56.29 23.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -52.53 45.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -51.51 50.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -51.64 -52.7 45.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.29 42.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.56 -48.3 63.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.619 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -51.81 -50.92 59.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 120' ' ' ALA . . . -61.26 -63.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -41.92 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -71.02 -59.57 2.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 0.3 OUTLIER 171.85 41.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 58.0 p 38.18 -156.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 177.53 115.43 0.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.81 166.89 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t30 176.35 152.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 m -164.85 165.87 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.95 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.93 98.09 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -107.8 176.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t 66.77 112.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -158.88 124.83 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -103.66 -55.47 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.762 H132 HD21 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.26 -62.2 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.401 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.39 132.56 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.88 160.09 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -130.01 50.48 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.733 HG12 HD13 ' A' ' 8' ' ' LEU . 3.0 t -147.42 -80.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 7' ' ' VAL . 4.9 mp -107.4 144.89 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -66.7 -175.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.994 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.48 -58.41 14.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.19 -38.75 88.2 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.75 -37.15 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -72.17 -45.23 61.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.2 -33.5 67.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -79.97 -39.53 29.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.786 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.7 -31.58 64.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HG3' HD13 ' A' ' 13' ' ' LEU . 21.9 mt-10 -88.95 29.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -2.83 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.9 mp -87.96 126.19 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 7.4 ptt180 -84.91 146.68 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 27' ' ' LYS . 17.9 mt -74.67 -35.39 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -128.83 153.83 79.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.37 3.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.18 -0.36 31.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.49 -168.22 44.43 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -138.58 48.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.774 ' CB ' HD12 ' A' ' 21' ' ' LEU . 13.0 mtmt -125.85 150.13 48.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -145.79 165.88 27.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 84' ' ' VAL . 4.2 m-30 -71.0 165.69 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.29 175.14 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -19.08 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -45.02 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -70.77 -35.42 72.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mm -63.17 -45.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.81 -34.0 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 31.8 t90 -63.79 -49.18 73.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.528 1.143 . . . . 0.0 108.084 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -64.44 -43.99 92.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.466 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 0.0 OUTLIER -57.01 -44.23 82.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -62.97 -43.0 99.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -57.07 -50.05 73.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.245 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 82' ' ' ILE . 2.5 mp -58.83 -51.08 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.88 -32.88 66.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -79.79 -23.08 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' HB3' HG23 ' A' ' 46' ' ' VAL . 1.3 m-85 -84.85 11.84 8.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 66.63 35.18 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 44' ' ' PHE . 3.0 t -124.73 150.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.749 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.1 m-20 -75.65 138.21 70.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.95 -30.09 77.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.51 -16.2 63.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD21 H132 ' A' ' 1' ' ' MYR . 37.9 tp -91.96 -0.75 57.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 6' ' ' SER . 4.8 pt-20 -76.59 -4.87 45.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 p -113.36 145.94 40.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 5.6 p -56.91 -34.35 67.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.11 -48.88 72.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.833 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.75 -39.23 95.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' A' ' 51' ' ' LEU . 1.8 t -63.92 -42.97 97.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -67.53 -35.94 80.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -65.17 -52.08 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -58.93 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 83' ' ' ALA . 14.3 tp -56.03 -38.98 71.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.04 -23.94 73.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -72.27 -40.83 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.298 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.5 mt -91.25 -16.79 27.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.836 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -38.37 -52.79 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.04 -39.33 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.772 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -15.71 18.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.101 HD11 ' CD1' ' A' ' 79' ' ' TYR . 11.0 mt -73.04 -37.21 66.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -43.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.6 p -139.44 41.89 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 75' ' ' LEU . . . -84.15 173.38 50.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.445 1.09 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 p -87.97 171.1 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -44.35 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 16.3 pt-20 -67.63 -41.86 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' CD2' ' HA3' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -49.26 78.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -55.89 -39.2 71.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -62.64 -47.12 85.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.101 ' CD1' HD11 ' A' ' 68' ' ' LEU . 7.7 t80 -57.95 -39.03 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.72 ' ND2' HD12 ' A' ' 101' ' ' LEU . 12.4 t-20 -63.76 -46.7 84.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.778 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.1 m -60.97 -42.78 98.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 41' ' ' LEU . 17.2 mm -61.23 -47.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.87 -45.59 82.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.902 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.1 t -62.43 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.647 ' CD1' ' CD2' ' A' ' 89' ' ' HIS . 2.6 tm? -59.24 -44.12 92.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 104' ' ' ILE . 38.4 t80 -61.94 -40.25 94.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.479 ' HA ' HD12 ' A' ' 92' ' ' ILE . 1.3 m -60.42 -45.0 95.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 108.378 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.9 t -64.78 -33.03 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m-70 -61.29 -49.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.99 3.09 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.71 63.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' CYS . 4.4 mt -106.74 132.03 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.3 122.27 9.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.424 ' C ' ' CE ' ' A' ' 95' ' ' LYS . 3.5 m -136.39 155.46 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' CE ' ' C ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -142.79 -47.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 1.8 p-10 -135.05 156.52 48.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 p -59.68 -32.24 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -70.07 -44.98 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.08 -33.39 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.528 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.84 -50.06 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.72 HD12 ' ND2' ' A' ' 80' ' ' ASN . 9.2 mt -65.9 -32.93 74.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -71.09 -41.97 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -49.08 71.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.664 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -65.21 -35.08 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.16 -39.96 82.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.05 -48.93 66.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -56.05 -48.92 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.424 ' NE2' HE22 ' A' ' 65' ' ' GLN . 3.1 tt0 -56.77 -51.44 68.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -53.0 -48.78 67.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -59.04 -42.91 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 t -57.02 -56.27 23.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -51.14 -52.25 45.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.13 -52.2 46.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -52.86 44.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.38 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.29 -51.19 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.99 -50.82 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.245 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.36 -58.6 7.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.17 1.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -42.92 -61.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.41 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -44.41 -55.38 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.1 p -74.18 177.19 5.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.98 -59.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -135.97 167.42 21.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -134.53 167.53 20.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.72 169.76 17.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.14 158.31 41.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.26 139.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.2 m -75.34 -58.58 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 50.06 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.7 167.51 16.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.666 H112 HG11 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.61 103.88 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.41 159.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.25 152.33 18.67 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.173 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -114.79 -39.67 3.68 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG11 H112 ' A' ' 1' ' ' MYR . 2.6 t -65.32 -55.46 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -117.29 125.88 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -72.65 -173.35 1.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.69 -57.73 18.26 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.93 -42.35 92.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -75.26 -45.18 41.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.61 -39.8 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -41.6 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.784 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -56.98 -32.71 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 107.914 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.42 31.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -7.1 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.1 mp -87.27 132.24 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 65.6 mtm-85 -84.67 149.64 25.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 27' ' ' LYS . 89.6 mt -80.45 -39.27 28.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 152.12 79.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -36.17 2.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.29 -0.62 50.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.1 -171.62 36.91 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.6 45.68 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.38 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.914 ' HB3' HD12 ' A' ' 21' ' ' LEU . 17.2 mmtt -120.23 164.19 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.62 -179.05 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.649 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.2 m-85 -78.51 157.61 28.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.42 179.74 5.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -19.96 26.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -45.46 73.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.802 ' CE1' HD11 ' A' ' 21' ' ' LEU . 63.5 m80 -71.02 -35.92 72.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.549 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 16' ' ' TRP . 82.6 mt -66.58 -44.13 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.82 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.831 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 44.0 t90 -63.76 -49.03 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -58.95 -37.52 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -41.05 97.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.09 -49.76 70.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.745 HD13 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -57.97 -45.96 85.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.4 -35.9 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -19.45 52.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.688 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -84.72 -8.88 58.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 83.33 32.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.0 p -123.42 150.19 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.75 136.25 70.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.52 56.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.01 -13.7 38.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.887 HD21 HD13 ' A' ' 60' ' ' ILE . 78.3 mt -81.77 -0.26 42.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 58.0 tt0 -76.05 -4.99 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 p -121.33 135.99 55.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -56.71 -31.21 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -71.38 -44.8 64.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.807 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.76 -45.34 96.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.64 -37.18 84.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 3.9 ttp180 -65.66 -36.25 83.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.84 -50.45 62.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.887 HD13 HD21 ' A' ' 51' ' ' LEU . 3.8 mt -58.81 -44.41 90.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.709 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.91 -49.54 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.08 -24.02 73.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.617 1.198 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.29 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -89.75 -16.84 29.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.04 -52.07 5.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.99 -35.33 3.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.0 m -56.89 -18.49 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.944 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.113 HD11 ' CD1' ' A' ' 79' ' ' TYR . 10.5 mt -73.16 -39.53 65.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -36.0 -40.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 t -147.19 41.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.7 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.75 172.73 46.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -89.04 168.9 11.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -43.41 90.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -43.96 81.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.615 1.197 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 ' HA3' ' A' ' 71' ' ' GLY . 5.3 tt -60.46 -40.77 92.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.8 -47.9 83.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' CH2' ' A' ' 36' ' ' TRP . 1.5 t -57.06 -40.29 76.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.831 HD22 ' CZ3' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -61.8 -47.19 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.113 ' CD1' HD11 ' A' ' 68' ' ' LEU . 5.6 t80 -56.17 -42.97 77.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.784 HG22 ' HH2' ' A' ' 16' ' ' TRP . 1.7 m -60.49 -42.9 97.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 61' ' ' LEU . 24.2 mm -61.06 -44.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.586 ' HB2' HD11 ' A' ' 61' ' ' LEU . . . -56.72 -44.49 81.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.649 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.7 t -65.17 -33.16 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.795 HD13 HD11 ' A' ' 8' ' ' LEU . 28.9 tp -66.63 -33.73 76.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.684 ' CD2' HD11 ' A' ' 104' ' ' ILE . 70.6 t80 -76.56 -41.34 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.711 ' SG ' HG11 ' A' ' 94' ' ' VAL . 2.9 p -59.85 -41.1 90.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.493 1.12 . . . . 0.0 108.285 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.483 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -73.31 -47.27 47.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.681 ' NE2' HD11 ' A' ' 85' ' ' LEU . 5.1 m-70 -56.66 -24.83 51.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.624 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -98.34 -16.07 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 76.36 52.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 10.0 mt -106.78 120.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -41.77 135.76 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.711 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -139.8 171.31 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -148.36 -46.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 165.24 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 t -59.99 -36.28 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -70.07 -42.42 72.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -67.28 -32.03 72.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.85 -48.26 63.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HE2' ' A' ' 79' ' ' TYR . 7.2 tp -68.94 -31.73 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.09 -41.35 70.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -47.39 79.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.684 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -67.02 -35.07 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.37 -40.1 95.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.95 -53.47 26.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.99 -51.96 65.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -55.06 -50.95 67.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -52.98 -48.65 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -58.9 -42.96 90.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 m -57.23 -56.23 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 110.077 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -51.26 -52.41 45.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -52.11 45.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.64 -53.01 43.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.28 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.613 1.196 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -52.37 -51.22 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.368 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -52.01 -50.85 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.42 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.46 -62.06 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.49 -60.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -42.27 -49.71 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 74.5 m 64.25 112.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -179.71 -84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -54.44 167.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -152.04 -55.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t 53.36 96.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -175.36 126.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.33 137.32 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.54 170.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.938 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -107.4 171.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -43.84 131.0 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.1 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 1.035 H143 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.0 -70.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -57.56 147.04 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.79 164.39 13.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -156.07 64.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.674 HG12 ' N ' ' A' ' 8' ' ' LEU . 2.8 t -141.35 -81.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' CD2' ' CE1' ' A' ' 89' ' ' HIS . 2.7 mt -118.58 151.17 38.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -70.78 -174.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -57.94 17.2 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.05 -44.81 96.76 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -30.64 70.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.71 -45.07 60.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.22 -45.42 93.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -29.78 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.76 ' HH2' HG22 ' A' ' 81' ' ' THR . 1.3 t-105 -65.44 -37.17 86.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.76 34.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -116.99 -8.34 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.3 mp -87.41 138.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 29.7 mtt180 -93.11 152.45 19.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.823 HD12 ' CB ' ' A' ' 27' ' ' LYS . 21.3 mt -82.93 -37.35 24.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -130.62 152.31 80.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -36.18 2.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.76 -4.16 52.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.04 -170.85 45.44 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -138.53 47.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 0.723 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' CB ' HD12 ' A' ' 21' ' ' LEU . 11.7 mtpt -119.33 144.07 47.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -134.56 164.47 27.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.594 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.3 m-85 -67.13 163.96 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.9 173.29 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.226 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -56.19 -22.31 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.69 -45.28 83.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 21' ' ' LEU . 41.9 m80 -71.26 -35.62 71.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.6 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 7.1 mt -68.25 -33.65 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' A' ' 31' ' ' LEU . 9.3 t -72.06 -42.7 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.99 -49.12 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.85 ' HB3' H132 ' A' ' 1' ' ' MYR . . . -61.74 -43.66 98.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HB2' ' C10' ' A' ' 1' ' ' MYR . 1.2 t -56.85 -42.87 80.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -63.6 -42.97 98.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.761 ' HB3' HD13 ' A' ' 78' ' ' LEU . 2.5 tp10 -57.71 -48.18 80.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 2.6 mm? -57.81 -51.0 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.18 -34.26 63.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -23.8 43.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CE2' ' HG3' ' A' ' 40' ' ' GLU . 5.2 m-85 -85.02 -0.22 53.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.68 45.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.05 145.76 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.548 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.4 t-20 -75.94 125.32 88.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' CB ' ' H72' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -75.07 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.66 93.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -70.01 -19.75 63.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.842 HD21 ' C12' ' A' ' 1' ' ' MYR . 8.3 tp -83.45 -0.65 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -76.79 -4.92 45.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.6 p -114.22 150.52 34.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 6.7 p -57.0 -36.42 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.16 73.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.94 92.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 82' ' ' ILE . 46.6 t -63.9 -44.97 91.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.1 ttt180 -61.27 -42.72 99.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.01 -47.53 82.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 51' ' ' LEU . 20.6 mt -58.9 -44.99 92.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 15.4 tp -55.04 -43.57 73.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 65' ' ' GLN . . . -73.98 -23.01 77.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.27 -41.39 76.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 ' CD2' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -97.62 -10.0 25.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.92 -56.16 0.89 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 -32.55 5.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 64' ' ' LEU . 73.8 m -56.57 -21.43 26.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.41 -42.22 99.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -36.1 -65.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.423 ' CG2' ' OE1' ' A' ' 69' ' ' GLN . 4.7 p -117.33 37.03 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.22 171.44 54.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 171.46 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.84 -42.45 97.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.38 -44.04 79.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.2 tt -60.31 -36.11 77.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -45.48 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -40.92 85.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.56 -44.46 86.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 68' ' ' LEU . 54.7 t80 -55.79 -43.05 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.77 -43.45 88.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.76 HG22 ' HH2' ' A' ' 16' ' ' TRP . 5.3 m -60.69 -41.74 95.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.676 HG23 ' SG ' ' A' ' 57' ' ' CYS . 16.7 mm -64.27 -41.49 92.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.13 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.706 HG21 HG21 ' A' ' 19' ' ' ILE . 2.6 t -65.29 -31.05 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.035 HD13 H143 ' A' ' 1' ' ' MYR . 4.3 tp -68.21 -31.26 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 88.4 t80 -76.53 -43.13 40.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.717 ' SG ' HG11 ' A' ' 94' ' ' VAL . 8.5 p -61.1 -40.62 94.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER -71.98 -47.12 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 8' ' ' LEU . 24.3 m-70 -54.17 -30.95 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -90.24 -16.37 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 7.6 mtp180 82.73 51.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 90' ' ' GLN . 8.3 mt -110.24 132.06 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -56.98 142.56 41.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.377 1.048 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.717 HG11 ' SG ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -146.03 171.27 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -46.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' OH ' ' A' ' 29' ' ' TYR . 2.1 p -59.85 -28.01 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.08 -45.04 78.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -43.49 79.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -57.64 -49.98 74.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.203 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.4 tp -62.95 -35.49 80.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.33 -33.69 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -70.14 -47.83 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 25.8 mm -56.97 -43.05 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.72 -39.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -55.76 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.94 -50.63 70.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.99 -50.15 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -53.04 -49.06 67.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.92 -43.02 91.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -56.89 -56.39 22.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.94 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -51.67 47.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -51.69 -52.81 45.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -51.28 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.59 37.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.37 -46.47 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.05 -45.66 43.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.83 -37.18 62.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.26 -36.05 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.52 -60.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -40.5 -64.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.9 p 44.82 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.53 147.32 18.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.72 167.48 15.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 0.74 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -153.29 140.17 19.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 t -51.87 -58.52 6.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.423 1.077 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? 55.84 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.94 146.08 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.23 167.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.75 161.21 31.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -63.07 167.66 4.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 1.094 H142 HD22 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.4 170.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.364 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' ALA . 6.7 tpt180 -65.42 122.51 17.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.76 -175.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.66 60.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 85' ' ' LEU . 27.2 t -128.59 -46.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.97 HD12 ' HB3' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -160.15 161.79 33.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -58.77 173.32 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -54.74 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.81 -46.34 18.95 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.97 ' HB3' HD12 ' A' ' 8' ' ' LEU . 2.5 mp0 -69.32 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.361 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -60.11 -45.1 94.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -49.94 52.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -27.12 51.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -79.0 -41.29 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 107.995 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 30.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 -7.0 11.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.1 mt -87.57 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -88.47 153.47 21.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' A' ' 27' ' ' LYS . 55.2 mt -83.12 -40.5 19.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 2.1 mtt85 -120.14 153.99 55.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.99 -35.72 2.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 3.54 27.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.86 -170.89 43.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 44.54 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -120.01 161.04 21.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ILE . 6.8 pt20 -160.08 -179.13 7.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.515 ' CE1' ' CD2' ' A' ' 21' ' ' LEU . 3.3 m-85 -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.94 177.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -55.0 -25.87 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -45.05 93.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 21' ' ' LEU . 36.1 m80 -70.66 -35.65 72.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.534 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.747 HG23 H122 ' A' ' 1' ' ' MYR . 17.8 mt -66.42 -37.07 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 31' ' ' LEU . 12.8 t -71.13 -39.78 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -63.86 -49.02 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 108.0 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -63.67 -40.22 96.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 t -56.99 -47.1 81.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.97 -43.09 99.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.22 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.724 ' HB3' HD22 ' A' ' 78' ' ' LEU . 1.1 tp10 -61.0 -42.51 98.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -64.21 -51.16 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.94 -34.54 63.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -26.17 39.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.734 ' CZ ' HD12 ' A' ' 75' ' ' LEU . 3.3 m-85 -85.75 14.07 6.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.53 39.76 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 ' CG1' HD23 ' A' ' 41' ' ' LEU . 3.6 t -124.98 150.03 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 50' ' ' LEU . 2.7 m-80 -84.48 137.47 39.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.5 -22.81 69.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.064 HD11 HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -63.84 -13.61 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 50' ' ' LEU . 75.9 mt -83.48 -0.79 51.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.77 -4.86 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 p -121.49 128.89 52.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 p -56.84 -28.27 61.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.01 -48.96 55.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.17 -41.29 99.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.402 1.064 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 82' ' ' ILE . 3.7 t -63.94 -43.79 94.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -61.9 -38.63 89.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.44 -39.67 92.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.064 HD11 HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.25 -48.1 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -55.58 -43.89 76.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.33 -23.54 73.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -78.74 -22.56 46.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 0.719 . . . . 0.0 110.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' GLN . 7.9 mt -100.65 -31.63 11.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.519 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -37.46 -57.79 1.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.04 -36.42 2.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -58.45 -16.11 13.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 79' ' ' TYR . 28.3 mt -63.16 -19.29 64.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -33.77 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.418 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 9.0 t -112.99 35.72 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.8 170.72 48.71 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -99.7 172.92 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.74 -42.02 98.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -44.94 76.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 9.9 tt -56.56 -43.64 80.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 3.6 mtm-85 -60.86 -50.92 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 t -55.72 -36.43 67.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 40' ' ' GLU . 1.4 tp -64.17 -47.25 80.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.24 -39.49 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.648 ' HA ' HD21 ' A' ' 101' ' ' LEU . 36.8 t-20 -62.62 -48.52 79.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.796 HG22 ' HH2' ' A' ' 16' ' ' TRP . 7.3 m -60.88 -41.77 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 57' ' ' CYS . 4.8 mm -65.1 -40.93 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.69 -49.19 75.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.017 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.5 t -61.66 -38.98 81.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.094 HD22 H142 ' A' ' 1' ' ' MYR . 14.6 tp -58.9 -45.48 90.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 58' ' ' ARG . 24.9 t80 -61.97 -44.16 97.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -58.35 -37.72 75.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.239 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 84' ' ' VAL . 15.2 t -69.88 -36.57 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.437 ' CE1' HG12 ' A' ' 7' ' ' VAL . 3.1 m-70 -72.98 -20.78 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' CB ' HD12 ' A' ' 92' ' ' ILE . 7.4 mm-40 -98.81 -1.85 39.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.12 54.1 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 90' ' ' GLN . 3.3 mt -107.47 132.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -49.23 135.08 17.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CA ' ' HE2' ' A' ' 95' ' ' LYS . 5.4 m -148.5 155.24 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' CG ' ' OE1' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -145.36 -53.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -119.97 153.95 35.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.497 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 75.0 m -59.99 -36.19 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.03 91.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.501 ' OE1' ' CG ' ' A' ' 95' ' ' LYS . 2.5 tt0 -62.66 -37.83 87.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -61.26 -49.43 77.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -62.07 -34.06 75.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.56 -37.21 76.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -48.92 63.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.474 HG13 ' HB1' ' A' ' 83' ' ' ALA . 3.4 mm -57.06 -42.56 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' HA ' ' CG ' ' A' ' 108' ' ' GLN . 51.7 tt0 -70.44 -30.06 66.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.06 -46.43 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -72.05 -51.47 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.182 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 105' ' ' GLU . 3.3 pp0? -54.98 -37.1 66.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -71.5 -44.55 64.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -37.58 77.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -67.17 -59.34 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -50.8 -29.63 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.332 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 3.9 ttpp -68.41 -57.82 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -51.61 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.29 -53.61 41.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.33 -49.61 61.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.93 -52.17 58.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.5 -56.82 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.48 -52.19 2.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.95 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -40.54 -59.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.236 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 43.0 p -62.57 -55.86 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 173.26 123.27 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -165.51 167.66 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -114.14 167.66 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.06 170.33 11.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -127.44 158.61 36.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.73 175.76 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.6 t -174.94 160.54 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -168.69 159.3 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -177.64 148.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 1.046 H142 HD13 ' A' ' 85' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 4' ' ' ARG . . . 40.47 86.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.733 ' HG3' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 161.41 145.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 46.9 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.225 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.38 33.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.995 HG11 HD11 ' A' ' 85' ' ' LEU . 47.2 t -122.16 -42.29 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -159.32 -176.23 5.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.46 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -76.94 -178.51 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.75 -53.66 26.4 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.66 79.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.674 ' CB ' HD12 ' A' ' 8' ' ' LEU . 9.4 mt-10 -60.63 -40.97 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.54 -33.06 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.62 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.234 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -37.86 61.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.769 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.97 -39.31 74.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.19 27.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 -4.09 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 16' ' ' TRP . 2.5 mp -87.29 147.09 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 12.2 ptp180 -99.61 153.11 19.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.5 mt -82.73 -38.75 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -112.13 153.37 44.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.95 -36.46 2.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.75 85.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 109.19 166.53 20.45 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 160.88 -60.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -164.96 177.68 7.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.31 173.27 11.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.782 ' CE1' HD23 ' A' ' 21' ' ' LEU . 4.2 m-85 -76.42 167.09 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 pttm 179.15 -179.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.96 -21.65 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.45 81.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.727 ' CE1' HD21 ' A' ' 21' ' ' LEU . 7.7 m170 -71.28 -35.78 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG13 ' CZ2' ' A' ' 16' ' ' TRP . 15.2 mt -68.03 -34.31 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.733 HG22 ' HG3' ' A' ' 4' ' ' ARG . 4.5 t -71.56 -42.44 72.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.571 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 11.5 t90 -63.86 -49.15 73.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -60.42 -46.5 89.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.4 t -57.0 -40.94 77.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -62.67 -43.23 99.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE1' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.717 HD11 HG21 ' A' ' 60' ' ' ILE . 4.2 mm? -60.62 -51.13 70.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.39 -33.07 73.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -77.52 -21.26 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.79 -8.97 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.95 31.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -119.28 150.31 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.702 ' CB ' HD23 ' A' ' 50' ' ' LEU . 1.2 t30 -75.65 125.05 88.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.465 ' HB2' ' C7 ' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -74.99 -35.71 2.99 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.516 1.798 . . . . 0.0 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.06 -36.07 79.76 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -67.12 -11.84 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.564 0.802 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.81 HD23 ' C10' ' A' ' 1' ' ' MYR . 6.6 tp -74.0 -4.63 36.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.95 -4.88 46.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 p -115.88 137.28 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -56.82 -30.86 64.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -46.76 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -59.92 -44.03 97.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.773 ' SG ' HD23 ' A' ' 85' ' ' LEU . 14.9 t -63.89 -41.06 97.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.98 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.73 -49.18 76.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.717 HG21 HD11 ' A' ' 41' ' ' LEU . 8.7 mt -61.37 -45.3 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.636 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -55.78 -43.83 77.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.84 -23.77 75.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -70.65 -38.64 73.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD21 HD13 ' A' ' 82' ' ' ILE . 4.5 pp -98.22 -10.34 24.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.581 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.4 mt-30 -37.73 -52.96 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -29.5 8.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.7 t -57.83 -16.51 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.147 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.3 mt -71.99 -39.66 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . 15.3 tt0 -35.74 -67.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -115.34 37.69 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.67 -174.09 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -104.59 167.77 9.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.86 -43.15 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -67.68 -44.28 78.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.35 -43.1 83.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -51.95 67.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -33.07 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.81 HD22 ' OE1' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -67.71 -46.99 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.147 ' CD1' HD11 ' A' ' 68' ' ' LEU . 9.5 t80 -56.78 -41.79 78.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -64.47 -45.75 86.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.483 HG23 ' CE2' ' A' ' 29' ' ' TYR . 18.3 m -60.65 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.694 HD13 HD21 ' A' ' 64' ' ' LEU . 10.0 mt -62.17 -38.41 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.207 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.135 ' HB1' HD11 ' A' ' 104' ' ' ILE . . . -60.46 -47.64 85.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 100' ' ' ALA . 25.0 t -59.85 -39.84 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.046 HD13 H142 ' A' ' 1' ' ' MYR . 8.9 tp -58.82 -44.88 90.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 58' ' ' ARG . 35.4 t80 -63.15 -40.04 96.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 6.0 t -58.59 -44.29 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.371 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.3 t -65.68 -36.49 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.598 ' CE1' HG12 ' A' ' 7' ' ' VAL . 2.0 m-70 -70.17 -23.77 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.564 ' CB ' HD12 ' A' ' 92' ' ' ILE . 68.9 mm-40 -93.56 -16.04 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 71.95 51.89 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mt -110.08 132.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.08 132.22 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 100' ' ' ALA . 2.9 m -149.56 171.35 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -142.35 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -117.28 162.32 18.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -39.77 85.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . 21.6 tp10 -66.34 -36.04 81.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB3' HG22 ' A' ' 84' ' ' VAL . . . -71.34 -50.07 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 6.7 tp -59.36 -42.15 90.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -71.25 -31.78 67.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -49.13 70.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.135 HD11 ' HB1' ' A' ' 83' ' ' ALA . 20.1 pt -71.68 -36.56 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.53 -39.98 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -51.88 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -48.92 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.03 -49.67 75.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.96 -50.15 64.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.393 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.8 91.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -55.47 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' ALA . 9.5 mttt -57.17 -58.65 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.95 -42.5 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.14 -40.47 90.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' LYS . . . -58.64 -61.17 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -52.16 -39.56 60.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -54.79 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.572 ' HB1' ' HB ' ' A' ' 122' ' ' THR . . . -61.59 -51.6 67.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.69 -27.37 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.84 -57.37 3.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -164.41 72.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.572 ' HB ' ' HB1' ' A' ' 118' ' ' ALA . 6.7 t -57.83 107.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.11 -131.78 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.81 157.85 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.393 0.702 . . . . 0.0 109.375 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -45.64 130.56 9.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.4 p -165.48 168.08 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.18 120.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.54 176.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.4 t 62.89 127.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -169.98 147.12 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -156.15 160.41 39.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.917 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.21 -84.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.93 141.74 58.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -91.65 152.48 20.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.1 27.47 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.035 HG12 HD22 ' A' ' 8' ' ' LEU . 52.5 t -142.75 -56.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.035 HD22 HG12 ' A' ' 7' ' ' VAL . 3.0 mm? -107.68 134.29 50.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.13 -166.97 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.73 -61.84 6.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.07 -39.09 46.37 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.97 -35.19 76.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 0.831 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD21 HD23 ' A' ' 31' ' ' LEU . 1.5 tp -75.79 -45.31 36.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.02 -32.88 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -83.91 -42.19 16.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.3 OUTLIER -56.77 -25.88 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.034 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.4 tm-20 -89.83 32.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.71 -7.3 11.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.35 121.83 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -89.25 145.5 25.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD11 ' HE1' ' A' ' 33' ' ' HIS . 9.9 mt -78.9 -37.27 40.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.86 152.07 38.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -39.35 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -14.66 75.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 120.23 168.48 13.76 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 27.9 tptt 160.9 -60.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -171.14 174.11 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.9 mt-30 -127.21 171.59 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.216 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 5.1 m-30 -59.24 156.29 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 178.99 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -58.67 -18.99 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.29 69.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.51 ' HE1' HD11 ' A' ' 21' ' ' LEU . 23.2 m80 -71.19 -37.81 72.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.529 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.917 HG12 H143 ' A' ' 1' ' ' MYR . 65.8 mt -65.75 -44.16 93.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.774 HG23 HD13 ' A' ' 31' ' ' LEU . 4.3 t -65.28 -37.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 29.9 t90 -63.7 -49.05 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 78' ' ' LEU . . . -62.38 -38.25 88.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -57.07 -48.07 79.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -42.94 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CA ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.18 -46.29 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.808 HD21 HD13 ' A' ' 60' ' ' ILE . 0.6 OUTLIER -57.97 -51.08 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.237 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.51 -32.9 67.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -20.99 44.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.344 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -84.74 12.51 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 58.04 34.19 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.782 HG22 HD12 ' A' ' 50' ' ' LEU . 6.9 p -125.02 150.8 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.17 138.09 72.16 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -33.13 4.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.3 -16.08 8.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.899 ' HB2' HD11 ' A' ' 60' ' ' ILE . 69.5 mt -62.41 -35.98 80.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 41' ' ' LEU . 6.5 mt -74.46 -3.46 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.79 -4.83 45.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 p -144.25 142.5 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -56.82 -30.75 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.74 -49.15 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.2 96.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.578 1.174 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 58' ' ' ARG . 10.9 p -63.85 -39.68 94.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' N ' ' SG ' ' A' ' 57' ' ' CYS . 2.8 tmt_? -59.95 -42.42 94.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -63.68 -45.55 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 50' ' ' LEU . 25.0 mt -58.94 -47.97 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -55.81 -43.96 77.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.88 77.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -40.73 67.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.34 -15.59 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -39.06 -52.56 3.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -36.38 2.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -57.74 -16.72 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.194 HD11 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -68.31 -40.36 81.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' LEU . 27.6 tp60 -36.11 -68.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -114.54 40.6 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.33 172.93 51.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 p -94.0 168.18 11.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 109.936 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.44 -43.25 88.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.78 -44.26 81.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.45 -39.84 88.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -61.95 -49.4 76.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.9 t -56.09 -37.81 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -64.14 -47.21 80.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.194 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.6 t80 -55.88 -43.05 76.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.483 ' HA ' HD13 ' A' ' 101' ' ' LEU . 9.0 t-20 -62.3 -45.48 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.705 HG22 ' HH2' ' A' ' 16' ' ' TRP . 3.4 m -60.63 -42.18 96.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.72 HG22 ' HG ' ' A' ' 61' ' ' LEU . 19.2 mm -61.59 -42.96 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.863 ' HB1' HD12 ' A' ' 104' ' ' ILE . . . -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.658 HG22 ' CB ' ' A' ' 100' ' ' ALA . 3.5 t -63.47 -34.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 8' ' ' LEU . 37.5 tp -62.72 -36.47 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -74.22 -38.84 63.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.8 m -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.27 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -73.12 -47.09 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 2.7 m-70 -54.93 -25.04 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -98.14 -16.26 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 30.8 ttt180 80.17 52.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.03 132.05 59.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.51 127.66 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.73 171.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 99' ' ' GLU . 0.4 OUTLIER -146.04 -46.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.94 168.11 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 t -67.3 -35.22 79.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.98 77.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 10.7 tp10 -62.18 -48.05 81.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.6 tp -57.29 -41.12 79.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.23 -32.5 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -49.07 74.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.863 HD12 ' HB1' ' A' ' 83' ' ' ALA . 26.8 mt -69.51 -35.55 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.52 -39.94 94.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -69.08 -52.25 30.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -52.0 65.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -55.15 -50.63 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -52.96 -48.94 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -42.91 91.03 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.386 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -56.3 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.931 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -52.28 45.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -51.12 -52.04 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.95 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.14 -52.26 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -51.51 58.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -50.76 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.91 -58.07 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -45.55 -61.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.61 -61.09 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' GLY . 24.9 t0 -43.57 -48.79 7.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.385 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 84.1 m 66.72 -70.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' ASP . . . 134.53 60.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.43 140.23 40.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -108.14 -55.46 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m 62.63 168.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.19 -59.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.2 t 60.98 102.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.84 168.34 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.956 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -177.5 144.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.92 157.31 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.845 H122 HG23 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.35 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -127.21 146.37 50.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.18 -175.66 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.15 -32.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.06 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.801 HG11 H121 ' A' ' 1' ' ' MYR . 3.4 t -74.43 -64.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 34' ' ' ILE . 35.0 mt -102.25 128.48 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 14.2 m -78.42 -170.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -55.0 32.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.94 -45.71 49.52 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.05 70.04 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.476 0.751 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD21 HD23 ' A' ' 31' ' ' LEU . 5.1 tp -75.21 -45.36 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.69 89.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -75.6 -37.2 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.744 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.99 -35.04 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -86.58 36.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -117.22 -9.5 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.4 mp -87.3 122.24 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -89.2 140.42 29.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' HE1' ' A' ' 33' ' ' HIS . 14.4 mt -72.98 -34.04 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.72 152.04 40.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -42.61 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.56 76.4 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.124 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 123.33 168.17 12.99 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.7 tttt 160.31 -59.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.66 175.02 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 5.8 pm0 -133.46 170.43 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE2' HG11 ' A' ' 84' ' ' VAL . 4.3 m-30 -55.96 144.96 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.15 179.18 7.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -57.51 -19.75 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -45.82 72.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.76 ' HE1' HD11 ' A' ' 21' ' ' LEU . 6.5 m170 -71.28 -35.79 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.555 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.845 HG23 H122 ' A' ' 1' ' ' MYR . 21.6 mt -67.2 -41.6 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 HD13 ' A' ' 31' ' ' LEU . 3.3 t -65.49 -41.11 90.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 1.088 ' CH2' HD12 ' A' ' 78' ' ' LEU . 45.4 t90 -63.71 -49.17 74.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 41' ' ' LEU . . . -59.36 -40.79 87.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.408 ' CB ' H111 ' A' ' 1' ' ' MYR . 0.3 OUTLIER -63.22 -39.06 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -62.91 -42.98 99.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.28 -33.25 72.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.678 ' HG ' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -62.93 -51.27 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -33.0 74.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -29.74 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD1' ' OE1' ' A' ' 40' ' ' GLU . 1.3 m-30 -86.27 10.5 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.34 47.33 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.94 150.06 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.675 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.16 127.35 81.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.478 ' HB2' ' C8 ' ' A' ' 1' ' ' MYR . 18.2 Cg_endo -75.02 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 52' ' ' GLU . . . -63.08 -37.8 95.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -71.65 -11.85 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.41 -4.85 59.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 7' ' ' VAL . 6.8 pt-20 -76.28 -4.84 44.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 p -104.27 139.33 39.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -56.3 -31.21 63.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 109.988 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -71.07 -47.67 57.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -38.91 96.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.3 t -66.33 -45.14 81.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 3.3 tmt_? -64.34 -35.91 82.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -49.0 76.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.487 HD13 HD11 ' A' ' 41' ' ' LEU . 6.0 mt -58.99 -48.05 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 83' ' ' ALA . 8.0 tp -55.89 -40.68 73.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.34 -23.92 76.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.3 -40.98 67.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.9 -16.8 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.2 mt-30 -38.59 -52.73 3.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.06 -33.84 4.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 t -61.15 -14.39 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.095 HD11 ' CD1' ' A' ' 79' ' ' TYR . 13.6 mt -73.14 -35.2 66.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 57.1 mm-40 -37.19 -42.11 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.5 t -143.66 39.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -82.25 173.34 53.11 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.3 p -89.75 167.52 12.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.21 -43.14 87.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.311 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.42 -43.61 80.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' HA3' ' A' ' 71' ' ' GLY . 6.7 tt -60.6 -39.59 88.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.48 89.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -41.26 83.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.088 HD12 ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -64.6 -44.68 89.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.095 ' CD1' HD11 ' A' ' 68' ' ' LEU . 3.4 t80 -55.74 -43.18 76.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 111.07 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.798 ' ND2' HD22 ' A' ' 101' ' ' LEU . 8.3 t-20 -64.85 -43.88 91.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -60.81 -42.4 97.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.456 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mm -61.49 -43.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.491 ' N ' HD13 ' A' ' 61' ' ' LEU . . . -56.54 -48.28 77.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 29' ' ' TYR . 2.5 t -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 51' ' ' LEU . 13.0 tp -63.41 -37.73 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 104' ' ' ILE . 59.4 t80 -72.49 -34.56 67.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' ILE . 71.3 m -63.46 -45.1 92.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -71.15 -47.08 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.488 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 4.0 m-70 -48.28 -43.61 32.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -86.86 -16.57 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER 76.69 63.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.2 mm -110.07 132.0 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.77 120.35 2.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 92' ' ' ILE . 4.8 m -137.4 171.29 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.63 -46.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.01 155.54 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 t -60.64 -35.36 76.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -68.32 -42.19 79.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.527 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.798 HD22 ' ND2' ' A' ' 80' ' ' ASN . 7.7 tp -68.53 -38.5 80.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -71.07 -37.25 72.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -63.51 -49.05 75.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -66.8 -34.84 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -40.06 95.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.9 -52.0 34.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.99 -44.15 78.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.97 -35.85 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -53.02 61.86 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' SER . 17.4 ptpt -61.16 -39.42 90.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 6.8 p -63.3 -37.0 85.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -66.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -46.54 -42.55 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -58.92 -51.21 71.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.79 41.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.68 -46.72 89.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.82 -42.15 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.6 -38.35 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 122' ' ' THR . . . -53.96 -32.53 54.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -89.5 -55.72 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' THR . 14.5 t70 -42.7 -68.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 119' ' ' ALA . 15.6 p 38.73 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -164.6 123.68 1.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -165.43 163.17 19.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.256 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -156.2 119.49 4.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.09 146.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.24 72.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.24 143.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.12 169.97 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -156.69 150.01 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -135.3 166.44 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.827 H143 HG12 ' A' ' 34' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.58 -60.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -134.88 78.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ARG . . . 48.78 -175.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.28 49.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 8' ' ' LEU . 3.2 t -140.77 -79.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 85' ' ' LEU . 5.4 mp -102.24 142.95 32.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -73.36 -178.27 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.39 -58.1 16.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.64 97.92 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.85 -30.95 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 13.4 mt -75.01 -41.77 58.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.57 -37.16 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.77 ' HH2' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -57.01 -30.29 64.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 107.964 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.66 29.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -5.3 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 16' ' ' TRP . 3.2 mp -87.03 138.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 3.9 mtt85 -85.61 151.09 24.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD12 ' HB3' ' A' ' 27' ' ' LYS . 54.4 mt -82.25 -39.83 22.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -130.78 152.31 80.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.12 2.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.55 -0.42 55.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.61 -171.62 36.13 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.03 47.02 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.813 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -123.52 161.38 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.51 177.18 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.5 m-30 -76.0 175.4 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.63 174.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -54.95 -26.13 34.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -45.03 93.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.644 ' CE1' HD11 ' A' ' 21' ' ' LEU . 41.6 m80 -70.85 -35.94 72.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.827 HG12 H143 ' A' ' 1' ' ' MYR . 27.5 mt -66.25 -35.93 76.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' LEU . 23.7 t -69.76 -46.65 73.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 78' ' ' LEU . 10.2 t90 -63.92 -34.86 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -66.18 -53.28 39.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB3' ' C10' ' A' ' 1' ' ' MYR . 21.7 p -57.03 -39.05 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -43.08 99.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HG3' ' CE2' ' A' ' 44' ' ' PHE . 3.3 tp10 -63.23 -44.33 95.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 82' ' ' ILE . 1.3 mp -61.94 -51.0 69.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -55.01 -38.02 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -25.39 55.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.634 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 2.5 m-85 -85.3 -4.24 59.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 80.34 43.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG11 HD23 ' A' ' 41' ' ' LEU . 5.9 t -124.97 143.52 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' HB2' HD23 ' A' ' 50' ' ' LEU . 2.2 m120 -76.31 130.09 78.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.41 2.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.06 -20.57 71.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.032 HD11 HD11 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -70.57 -13.23 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 109.347 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD13 H132 ' A' ' 1' ' ' MYR . 36.0 mt -83.79 -2.59 56.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.92 -4.92 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 p -124.89 135.53 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 p -56.9 -30.79 64.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -69.39 -48.99 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . -57.27 -43.49 93.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 51' ' ' LEU . 6.5 m -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 86' ' ' TYR . 16.9 tpt85 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.032 HD11 HD11 ' A' ' 50' ' ' LEU . 19.5 mt -59.51 -49.06 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -55.93 -49.6 73.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.88 -29.4 74.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -24.14 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 68' ' ' LEU . 17.6 mt -88.0 -31.97 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -36.21 -53.88 1.56 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.01 -30.7 6.86 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' LEU . 67.1 m -56.27 -47.51 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -58.98 -29.27 67.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 58.9 tp60 -37.41 -40.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -146.32 31.15 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.92 52.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 p -96.38 169.58 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.29 -39.66 87.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.51 -47.04 68.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.6 tt -59.83 -39.45 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -47.64 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -47.0 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -57.94 -46.81 84.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.933 ' CD1' HD21 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.47 -42.61 82.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.473 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 88.1 m-20 -59.3 -45.62 90.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.77 HG22 ' HH2' ' A' ' 16' ' ' TRP . 2.5 m -60.72 -42.51 97.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 41' ' ' LEU . 5.0 mm -61.42 -43.34 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.596 ' CB ' HD11 ' A' ' 61' ' ' LEU . . . -56.89 -48.71 77.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.8 t -59.92 -37.18 70.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.752 ' HG ' H142 ' A' ' 1' ' ' MYR . 1.2 tm? -59.01 -46.74 87.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.686 ' CD2' HD11 ' A' ' 104' ' ' ILE . 22.5 t80 -61.85 -44.29 97.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 92' ' ' ILE . 1.1 m -56.92 -39.04 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' VAL . 19.2 t -65.73 -42.97 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.705 ' CD2' HD13 ' A' ' 85' ' ' LEU . 37.2 m-70 -58.95 -35.96 74.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.01 -10.64 52.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.16 62.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.42 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.2 mt -109.97 130.83 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.85 130.77 38.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -142.23 159.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -39.55 3.17 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.79 157.46 46.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.0 t -59.95 -28.04 67.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -70.0 -38.97 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.07 -45.82 72.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 94' ' ' VAL . . . -62.4 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 79' ' ' TYR . 9.2 tp -68.98 -31.02 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -40.66 71.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -49.0 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.686 HD11 ' CD2' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -64.67 -34.97 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.1 -39.83 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.03 -47.75 64.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -51.92 66.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -53.97 50.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -54.68 -38.8 67.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -60.65 -42.04 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.9 m -68.45 -61.83 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -46.5 -41.97 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -56.26 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -50.36 -51.09 48.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.98 45.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.18 -51.06 60.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -50.9 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.44 -58.82 6.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.54 -61.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.53 -55.45 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.8 m -75.58 106.34 7.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -37.82 120.62 0.87 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 177.35 167.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.77 159.29 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.5 170.5 17.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.87 171.39 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.1 140.25 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.37 170.29 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -141.42 166.57 24.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -156.1 167.04 31.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.976 . . . . . . . . 0 0 . 1 stop_ save_